6540267 -OEChem-10051721123D 61 64 0 0 0 0 0 0 0999 V2000 -0.0620 0.3511 2.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6702 -3.9202 0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6426 0.6700 -0.2942 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 1.3238 1.0372 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 0.6768 0.7606 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 1.0165 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 -0.3593 1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 2.0887 1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -0.3567 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 2.0095 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 0.6252 -1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 1.6667 -1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 -0.7738 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 0.9578 1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 1.3701 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 1.3255 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2254 2.4674 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5363 2.4593 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -0.5504 1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5013 0.9990 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -1.7459 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 3.3103 -1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1757 1.8575 -1.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 2.9960 -1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -2.2804 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 -2.3202 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -3.3957 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -3.4353 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 -3.9732 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -5.0602 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 1.0013 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -0.6592 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 -1.1166 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 3.0880 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 1.9596 2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 -0.2137 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 -1.3649 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 2.2968 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.7718 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 0.8621 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 1.7709 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 2.6873 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8881 1.5006 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0159 1.6170 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 -1.4915 -2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3636 -1.1589 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3384 -0.7599 -2.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 3.2148 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -0.5554 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6359 -0.5673 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0097 0.1321 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7648 4.2012 -1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2024 1.6357 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1003 3.6492 -2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 -1.8577 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 -1.9330 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 -3.8871 -1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3364 -4.8402 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 -5.9172 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.8241 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 -5.3434 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 27 1 0 0 0 0 2 30 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 41 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 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 13 1 0 0 0 0 11 40 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END > DB07973 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GIPCBGDQVGKMPO-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(CN2C(=CC3=C2C=CC=C3)C(=O)NC2CCN(CC2)C(C)C)=CC=C1 > InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29) > GIPCBGDQVGKMPO-UHFFFAOYSA-N > C25H31N3O2 > 405.5325 > 405.241627251 > 3 > 61 > 0.9927314487259439 > 46.611326628402736 > 1 > 1 > 0 > 1 > 1-[(3-methoxyphenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide > 4.54 > 3.656992316333333 > -4.99 > 1 > 1 > 4 > 1 > 15.724562820607469 > 9.13538348673644 > 46.50000000000001 > 121.5881 > 6 > 1 > 4.17e-03 g/l > biotin > 0 $$$$