129264140 -OEChem-10032317173D 66 73 0 1 0 0 0 0 0999 V2000 -6.4711 0.0380 -3.2064 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 5.0098 -1.4786 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 2.1453 -1.5862 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 -0.3902 3.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 -0.0760 -0.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 1.1742 -2.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.8678 0.6707 N 0 0 2 0 0 0 0 0 0 0 0 0 1.6719 -0.1786 0.8949 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 -0.1399 1.4001 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 0.8665 0.6654 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -1.6975 1.5007 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9082 -0.5726 0.6121 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3300 -0.1764 1.4315 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7327 0.4261 0.4992 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9914 -3.0405 1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4028 -4.2850 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 -2.4772 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 -1.4047 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 -0.4647 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 -5.2418 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -4.4182 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 -0.3615 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0735 1.8890 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 -0.2007 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 -1.1584 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5944 0.2926 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.5819 -1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 2.6814 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 2.4408 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2878 -0.0395 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3581 -2.1011 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 0.8776 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 -0.4222 -2.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 -0.1523 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 4.0257 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 3.7849 2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -1.4777 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -0.0616 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 4.5775 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0594 2.3438 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0565 0.4146 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1941 -1.9765 2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 0.2273 2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3233 0.3641 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 -3.1510 2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 -2.9436 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 -4.7157 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -3.0441 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -3.1669 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -4.9936 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 -6.3013 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 -4.9259 -1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 -3.6239 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9102 0.0327 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -0.7898 -2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 1.8615 2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2588 0.1652 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 -3.1720 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -0.5102 -3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 4.2132 3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3495 -2.1258 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 5.6229 1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 2.7146 -1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 2.8960 0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 2.5775 0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 0.2480 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 3 28 1 0 0 0 0 4 22 2 0 0 0 0 5 41 1 0 0 0 0 5 66 1 0 0 0 0 6 41 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 54 1 0 0 0 0 10 26 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 23 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 25 2 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 2 0 0 0 0 27 55 1 0 0 0 0 28 35 1 0 0 0 0 29 36 2 0 0 0 0 29 56 1 0 0 0 0 30 34 2 0 0 0 0 30 57 1 0 0 0 0 31 37 2 0 0 0 0 31 58 1 0 0 0 0 32 38 2 0 0 0 0 32 40 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 35 39 2 0 0 0 0 36 39 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 41 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 M END > DB18578 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AMTXDBGKYPDTTA-SJVQGLCSSA-N/SDF?record_type=3d > [H][C@]12CC3=C4C=CC(C(O)=O)=C(C)C4=NN3[C@@]1([H])[C@H](C1=CC=CC(Cl)=C1F)[C@@]1(N2CC2CC2)C(=O)NC2=CC(Cl)=CC=C12 > InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28-,31-/m0/s1 > AMTXDBGKYPDTTA-SJVQGLCSSA-N > C31H25Cl2FN4O3 > 591.46 > 590.1287742 > 5 > 66 > 1.7527604757121757 > 59.92825099003156 > 1 > 2 > 0 > 0 > (3S,10'S,11'S,14'S)-6-chloro-11'-(3-chloro-2-fluorophenyl)-13'-(cyclopropylmethyl)-6'-methyl-2-oxo-1,2-dihydro-8',9',13'-triazaspiro[indole-3,12'-tetracyclo[7.6.0.0^{2,7}.0^{10,14}]pentadecane]-1',3',5',7'-tetraene-5'-carboxylic acid > 4.703724565606697 > 0 > -1 > 8 > -1 > 12.296243610944833 > 3.3189956036944386 > 5.030826185981639 > 87.46000000000001 > 165.79629999999997 > 4 > 0 > (3S,10'S,11'S,14'S)-6-chloro-11'-(3-chloro-2-fluorophenyl)-13'-(cyclopropylmethyl)-6'-methyl-2-oxo-1H-8',9',13'-triazaspiro[indole-3,12'-tetracyclo[7.6.0.0^{2,7}.0^{10,14}]pentadecane]-1',3',5',7'-tetraene-5'-carboxylic acid > 0 $$$$