132271862 -OEChem-02092114303D 65 69 0 0 0 0 0 0 0999 V2000 -7.2240 2.6015 -0.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2114 0.1140 0.4442 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.7360 -0.3695 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 0.0697 1.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2727 1.6961 -0.5758 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3541 0.0131 2.2506 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5570 0.6959 0.4385 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 -1.4519 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3474 -0.4932 -1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2183 -1.0072 1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8624 -0.3394 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7378 -0.8347 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 -1.5950 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -0.6134 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -0.4730 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.2821 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4728 -1.8725 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6564 0.3101 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7134 -2.8394 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 -0.4375 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 1.7261 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 -3.0029 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 -0.1157 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 2.0126 1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1976 2.5266 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0001 1.6484 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 0.3296 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 -0.2262 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 0.6239 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 0.4888 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 0.4236 -2.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4525 1.0800 -2.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5318 0.3959 1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 -2.4379 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 -0.8668 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8821 0.4981 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 -0.0590 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 -1.7470 2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 0.3860 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3512 -1.2953 -1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2275 -1.8104 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9882 -0.4638 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 0.4924 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2285 -0.5062 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9623 0.3829 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 -3.7084 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 2.1421 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 -3.9721 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 -2.4915 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 3.0803 2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 1.4610 2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 1.7318 1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 3.6009 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 2.3438 -1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 2.2676 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -0.5422 1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 -0.5495 -2.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 0.7389 -3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 1.1523 -2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6249 2.5417 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9043 0.9022 -0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4659 0.3008 -3.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 1.2980 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 1.9994 -2.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 0.4578 2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 3 49 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 30 1 0 0 0 0 5 26 1 0 0 0 0 5 60 1 0 0 0 0 5 61 1 0 0 0 0 6 33 2 0 0 0 0 7 30 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 43 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 26 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 2 0 0 0 0 19 46 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 M END > DB16580 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNFVHLQYHFQOEP-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C1=C(NC2=CC=C(C=C12)C1CCN(CC(N)=O)CC1)C1=CN2N=CN=C2C(C)=C1C > InChI=1S/C26H32N6O/c1-15(2)24-20-11-19(18-7-9-31(10-8-18)13-23(27)33)5-6-22(20)30-25(24)21-12-32-26(28-14-29-32)17(4)16(21)3/h5-6,11-12,14-15,18,30H,7-10,13H2,1-4H3,(H2,27,33) > SNFVHLQYHFQOEP-UHFFFAOYSA-N > C26H32N6O > 444.583 > 444.263759674 > 4 > 65 > 0.7971342151488678 > 51.313882607706724 > 1 > 2 > 0 > 0 > 2-[4-(2-{7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-3-(propan-2-yl)-1H-indol-5-yl)piperidin-1-yl]acetamide > 4.2618010680000005 > 0 > 1 > 5 > 1 > 16.616815990161452 > 15.774206319924616 > 7.59412511239108 > 92.31 > 143.7476 > 5 > 1 > N-demethyldiltiazem > 0 $$$$