9939865 -OEChem-10061700043D 67 71 0 1 0 0 0 0 0999 V2000 0.5482 0.3820 -1.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 1.5784 1.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0664 0.8969 0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3018 1.1062 0.2891 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2358 0.5800 -0.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 -0.3068 0.1712 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -0.5208 -0.4191 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 0.5128 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2206 1.5547 -0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1378 0.3558 1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 1.0589 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -0.0995 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7127 1.2211 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6326 0.0616 1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9796 1.4948 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 0.3089 0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7365 0.8372 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 0.1405 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 -0.6833 0.3232 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5494 -2.1537 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -3.0027 1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2747 -2.6513 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 0.8112 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 1.0798 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 -4.3687 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 -4.0173 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 -4.8760 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 0.0116 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 2.3794 0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 0.3083 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8183 1.6061 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 2.6611 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 1.5263 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4998 0.2062 -0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5371 -0.4528 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0919 2.5581 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8709 1.5888 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7209 -0.4816 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0023 1.2644 1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 0.1256 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9067 1.8501 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.1865 1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 -1.0898 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2131 2.0235 -1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8542 0.2929 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7701 -0.9249 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0740 0.0150 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9183 2.4908 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 1.5601 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 1.2251 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 -0.4913 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9486 -0.1104 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1865 0.8016 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2446 1.6414 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5278 -0.3834 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 -0.8351 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 -2.6188 2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -2.0279 -2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -5.0374 1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -4.4136 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 -5.9397 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -1.0187 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 3.2020 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 3.6832 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -1.5212 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9072 2.3458 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4258 -0.2798 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 23 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 6 56 1 0 0 0 0 7 30 1 0 0 0 0 7 34 1 0 0 0 0 7 65 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 9 13 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 22 26 2 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 29 63 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 64 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > DB05713 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VYNKVNDKAOGAAQ-RUZDIDTESA-N/SDF?record_type=3d > CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=CC=CC=C1 > InChI=1S/C27H33N5O2/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33)/t25-/m1/s1 > VYNKVNDKAOGAAQ-RUZDIDTESA-N > C27H33N5O2 > 459.594 > 459.263425323 > 4 > 67 > 52.39665594494181 > 1 > 2 > 0 > 0 > N-[(1R)-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]-1H-indole-6-carboxamide > 2.49 > 2.0750721059999995 > -3.82 > 0 > 5 > 1 > 16.477915478628148 > 12.541665525808082 > 8.811104243691487 > 71.68 > 134.6789 > 5 > 1 > 6.94e-02 g/l > N-[(1R)-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]-1H-indole-6-carboxamide > 0 $$$$