3378093 -OEChem-10112214423D 71 77 0 0 0 0 0 0 0999 V2000 -7.4748 -2.3151 -0.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.4397 0.4572 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4101 1.0923 0.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2548 2.9969 -0.3862 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 -0.8664 0.0309 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1141 -0.7117 -0.2299 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 1.5401 0.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2051 0.0980 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3564 1.1666 1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5788 0.6830 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8922 -0.6295 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0931 -1.1295 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7719 2.5335 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9208 2.0395 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1388 -1.9982 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 -0.1522 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 -1.0826 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 -2.4499 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1316 -2.9346 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 -3.2508 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7046 4.3166 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -2.1601 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 0.3553 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 0.3524 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 0.5647 -1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 0.1388 1.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.5636 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0445 0.1376 1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 0.3500 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 0.3472 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -0.8300 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 1.5478 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2674 -0.8065 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 1.5713 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 0.3941 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.1348 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3848 0.4191 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3355 -0.2437 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6119 -0.9527 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9024 0.8272 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4267 1.3085 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 0.8208 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3188 -0.0080 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1940 -1.2849 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1041 -1.0379 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0781 3.2475 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6777 2.5021 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8351 1.9251 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2972 2.4104 -2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3911 0.9042 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 -3.9897 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -3.8880 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -3.8655 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 4.3034 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9925 5.0435 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1066 4.6882 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 -2.3460 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0209 -2.0984 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 0.7315 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 -0.0279 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.7299 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5959 -0.0313 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 2.4756 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -1.7312 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7341 2.5253 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8863 -2.9534 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -2.4035 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5353 -2.0893 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2222 -0.8569 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 -2.0176 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1751 -0.5442 -1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 23 2 0 0 0 0 3 7 1 0 0 0 0 3 38 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 21 1 0 0 0 0 5 17 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 37 1 0 0 0 0 6 38 2 0 0 0 0 7 37 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 26 28 2 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 36 1 0 0 0 0 32 34 2 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 37 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 38 39 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > DB17052 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ATQMRMGXINTJHV-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCC2(COC3=CC4=C(C=C23)N(CC4)C(=O)C2=CC=C(C=C2)C2=C(C)C=C(C=C2)C2=NOC(C)=N2)CC1 > InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 > ATQMRMGXINTJHV-UHFFFAOYSA-N > C32H32N4O3 > 520.633 > 520.247440906 > 5 > 71 > 0.9851606065907643 > 60.939006291858874 > 0 > 0 > 0 > 0 > 1'-methyl-5-[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carbonyl]-2,5,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine] > 4.90 > 5.335461015333335 > -4.15 > 0 > 1 > 7 > 1 > 8.822090647252118 > 71.7 > 163.82969999999997 > 3 > 0 > 3.67e-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 $$$$