3932 -OEChem-10061700313D 51 55 0 0 0 0 0 0 0999 V2000 -0.1077 -0.5283 2.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0347 -0.7110 -0.0736 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8198 -0.1495 0.0329 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 0.2820 0.2623 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 1.4670 0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 1.5109 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 2.0607 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 2.1329 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -0.0484 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 0.2139 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 2.6239 -1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 1.2859 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 1.4843 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 0.0125 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -2.1183 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 2.4255 -2.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 1.1284 -3.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2234 1.6421 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 0.4214 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 0.2222 1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 1.9546 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -2.6584 -1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 -2.9774 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3197 0.8962 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 -0.1425 1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 -0.4600 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2207 1.3222 -0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9688 -4.0409 -1.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3445 -4.3600 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 -4.8919 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 3.1154 1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 2.0598 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 2.0787 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1392 3.2051 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 3.6279 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -0.9633 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0782 3.2798 -3.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0396 0.9876 -4.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 2.4826 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.0425 2.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 -0.0679 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 2.7995 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 -2.0482 -1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 -2.6051 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8442 1.1317 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5423 -0.9750 1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -1.2987 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 1.6506 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -4.4556 -2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 -5.0230 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 -5.9683 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 24 2 0 0 0 0 3 26 1 0 0 0 0 4 25 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 13 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 10 14 2 0 0 0 0 11 16 1 0 0 0 0 11 35 1 0 0 0 0 12 18 2 0 0 0 0 12 20 1 0 0 0 0 13 19 2 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 24 1 0 0 0 0 18 39 1 0 0 0 0 19 25 1 0 0 0 0 19 40 1 0 0 0 0 20 26 2 0 0 0 0 20 41 1 0 0 0 0 21 27 2 0 0 0 0 21 42 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 23 29 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END > DB13806 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YEJCDKJIEMIWRQ-UHFFFAOYSA-N/SDF?record_type=3d > O=C1N(C2=CC=CC=C2C1(CC1=CC=NC=C1)CC1=CC=NC=C1)C1=CC=CC=C1 > InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2 > YEJCDKJIEMIWRQ-UHFFFAOYSA-N > C26H21N3O > 391.474 > 391.168462308 > 3 > 51 > 41.75592565013212 > 1 > 0 > 0 > 1 > 1-phenyl-3,3-bis[(pyridin-4-yl)methyl]-2,3-dihydro-1H-indol-2-one > 3.49 > 4.414475706000001 > -5.32 > 0 > 5 > 0 > 5.351237843379331 > 46.09 > 116.63209999999997 > 5 > 1 > 1.88e-03 g/l > linopirdine > 0 $$$$