10252009 -OEChem-09142217363D 75 77 0 0 0 0 0 0 0999 V2000 -1.1321 -2.3562 -0.7928 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -2.6729 -0.4188 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 0.3407 -0.5014 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -1.3914 0.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 0.7935 0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 0.4001 0.9744 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -3.2080 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 -1.2661 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 -3.7623 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -1.8194 -1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 -1.8273 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -1.4040 -1.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5894 -0.8251 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0277 -3.2029 -0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 1.5186 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7324 0.6198 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 -3.6181 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 2.5965 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8978 -0.2266 1.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 -2.4555 1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 3.8489 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 2.0197 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 0.0687 2.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2373 0.0199 2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 -0.1212 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 1.9843 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 1.7127 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 3.2374 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 2.7406 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 4.2487 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 4.0067 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2659 -4.0568 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -2.6508 1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0876 -0.5915 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 -0.6624 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -4.4406 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 -4.3602 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -0.9699 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 -2.3748 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 -1.0114 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -2.6080 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3639 -2.2857 -2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -0.6980 -2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1331 -0.6019 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -1.6213 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 -4.0538 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6139 -2.4460 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9265 1.9453 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 1.2542 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5883 0.4611 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7986 1.6712 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 -4.4432 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 -4.0040 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0789 2.9212 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8622 -1.2929 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 -2.1026 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -2.8174 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 4.2886 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 4.6071 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 3.6136 -2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 1.6237 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6187 2.7960 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 1.2232 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 -0.2765 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6711 1.1396 2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -0.4532 3.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3328 1.0641 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3391 -0.6151 3.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0701 -0.2077 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 -1.6355 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 0.6220 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 3.4226 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 2.5623 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0378 5.2415 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 4.8126 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 4 70 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 71 1 0 0 0 0 6 25 2 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 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 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 72 1 0 0 0 0 29 31 1 0 0 0 0 29 73 1 0 0 0 0 30 31 2 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 M END > DB16954 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KLKKWCPJBTXWOV-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)CN(CCCN1CCN(CCCNC2=NC3=CC=CC=C3N2)CC1)CC(C)C > InChI=1S/C25H44N6/c1-21(2)19-31(20-22(3)4)14-8-13-30-17-15-29(16-18-30)12-7-11-26-25-27-23-9-5-6-10-24(23)28-25/h5-6,9-10,21-22H,7-8,11-20H2,1-4H3,(H2,26,27,28) > KLKKWCPJBTXWOV-UHFFFAOYSA-N > C25H44N6 > 428.669 > 428.362745441 > 5 > 75 > 2.1737867554415446 > 54.544442958151066 > 1 > 2 > 0 > 0 > N-[3-(4-{3-[bis(2-methylpropyl)amino]propyl}piperazin-1-yl)propyl]-1H-1,3-benzodiazol-2-amine > 4.37 > 3.7540260744668155 > -3.74 > 1 > 3 > 3 > 2 > 12.4463112056305 > 10.946716401325817 > 50.43 > 133.94310000000004 > 13 > 1 > 7.79e-02 g/l > 6-cyclopropaneamido-N-[hydroxy(2H2)methyl]-4-{[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]amino}pyridazine-3-carboxamide > 0 $$$$