11753673 -OEChem-10051722363D 87 91 0 0 0 0 0 0 0999 V2000 1.8171 -1.0879 -1.6196 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 5.8588 -0.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -4.7481 2.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 1.0964 -2.2736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 -2.5017 -2.7871 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9526 2.3693 1.6378 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 -4.3496 -0.2172 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 6.3485 -1.8031 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 0.1063 -0.8247 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 4.8064 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6641 4.7323 1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 3.4154 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 -1.2219 -2.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 -0.8380 -1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -2.6571 -2.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 3.6885 2.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 2.4150 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 -1.1234 -2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 -2.8825 -3.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 -3.4542 -1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 1.3715 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 -3.4102 -1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0129 5.7171 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -0.0300 2.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0405 -0.3258 1.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7303 -1.0332 1.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -3.9821 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 -2.6276 1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 0.1454 -1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4363 -1.6244 1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -2.3321 1.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -5.6904 -0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 1.1503 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 0.9561 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 2.3950 -1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -0.3260 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 2.0064 0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1291 3.4452 -0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2230 3.2509 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2453 -0.6041 2.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -1.2812 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 -1.8371 2.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8202 -2.5142 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -2.7921 2.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 5.2044 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 4.4745 1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 5.7135 1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 3.4547 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 3.0608 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -0.5720 -3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5182 0.2258 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 -1.3742 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6306 -3.3579 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -2.8796 -3.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3496 3.6371 3.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8554 4.0144 2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 2.6822 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4551 1.4338 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 -0.8455 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.4488 -3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 -2.2911 -4.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -3.9267 -3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 -3.3196 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 -4.4727 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 1.4873 2.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5088 1.5057 3.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3638 -3.6708 -2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0264 -2.4077 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8039 0.4373 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6731 -0.8175 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 6.9865 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 6.2035 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4934 -1.8444 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 -3.1069 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -6.1256 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -6.3320 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3162 -5.6283 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 -0.7872 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 2.6309 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 1.8740 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9664 4.4150 -1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 4.0687 0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 0.1289 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0206 -1.0809 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0521 -2.0537 3.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -3.2581 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 -3.7522 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 29 1 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 29 2 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 27 1 0 0 0 0 7 32 1 0 0 0 0 8 23 1 0 0 0 0 8 71 1 0 0 0 0 8 72 1 0 0 0 0 9 29 1 0 0 0 0 9 33 1 0 0 0 0 9 78 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 45 1 0 0 0 0 11 16 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 17 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 14 18 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 19 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 24 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 30 1 0 0 0 0 25 69 1 0 0 0 0 26 31 2 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 1 0 0 0 0 35 79 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 39 2 0 0 0 0 38 81 1 0 0 0 0 39 82 1 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 41 43 2 0 0 0 0 41 84 1 0 0 0 0 42 44 2 0 0 0 0 42 85 1 0 0 0 0 43 44 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 M END > DB11855 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FYDWDCIFZSGNBU-UHFFFAOYSA-N/SDF?record_type=3d > CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1 > InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43) > FYDWDCIFZSGNBU-UHFFFAOYSA-N > C35H43N5O4 > 597.76 > 597.331504885 > 6 > 87 > 66.91900796308387 > 0 > 2 > 0 > 0 > 1-[2-(1-{4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl}-N-methylformamido)ethyl]piperidin-4-yl N-{[1,1'-biphenyl]-2-yl}carbamate > 4.24 > 3.8115569050000015 > -4.92 > 1 > 5 > 2 > 16.23747344410342 > 12.740820071938426 > 8.646514538241089 > 108.21 > 174.8395 > 11 > 0 > 7.21e-03 g/l > 1-[2-(1-{4-[(4-carbamoylpiperidin-1-yl)methyl]phenyl}-N-methylformamido)ethyl]piperidin-4-yl N-{[1,1'-biphenyl]-2-yl}carbamate > 0 $$$$