73297272 -OEChem-05201911053D 76 81 0 1 0 0 0 0 0999 V2000 -5.2638 -2.9093 3.5768 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4308 -5.2969 0.7179 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 -2.4254 1.2701 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 -0.3386 -2.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4086 2.5493 -0.6552 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 0.8787 1.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5353 1.3984 2.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 1.8339 -1.6039 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 -1.3082 -1.1352 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 0.4595 -0.9863 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 -4.4015 -1.7125 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5289 -0.2592 0.9435 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 1.6083 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 0.0393 -0.4965 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4847 -0.3243 -0.6296 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3011 2.2498 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 2.2864 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.7824 -1.5477 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7788 4.4510 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 3.7818 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4463 3.8181 0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 -0.6071 0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -0.5379 -1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 -1.7610 -1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7665 -1.3576 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 1.3748 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 5.9532 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 4.3154 1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3589 -0.6050 2.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 -2.7341 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -2.1066 -2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5879 -2.0713 1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 -1.3180 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 0.7852 -0.5328 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2834 -2.0402 2.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 -4.0279 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 -3.4285 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7637 -0.0236 -1.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 0.5654 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 0.2350 -0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1483 0.0462 0.7984 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4530 0.4699 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -0.1814 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 1.9218 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0892 1.9372 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 2.0208 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 1.8958 -1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 0.4810 -2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 2.7701 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 4.2011 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 4.1322 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 4.0786 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 4.1493 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5675 -1.7988 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 4.7988 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 6.4640 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 6.1156 -0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4839 6.4396 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 3.2727 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7855 4.7920 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4926 -0.0732 2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -1.4106 -3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4279 -2.6423 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -0.4979 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 -1.3091 3.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 1.8482 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -3.7514 -3.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 0.2291 -2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 -1.0956 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 1.2168 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -0.4666 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8766 -0.4268 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 1.2646 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9609 -0.9996 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4335 -1.0389 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4675 -0.0549 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 3 30 1 0 0 0 0 4 23 2 0 0 0 0 5 26 2 0 0 0 0 6 39 1 0 0 0 0 6 41 1 0 0 0 0 7 42 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 49 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 9 54 1 0 0 0 0 10 26 1 0 0 0 0 10 34 1 0 0 0 0 10 64 1 0 0 0 0 11 36 2 0 0 0 0 11 37 1 0 0 0 0 12 42 1 0 0 0 0 12 75 1 0 0 0 0 12 76 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 46 1 0 0 0 0 18 26 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 25 2 0 0 0 0 22 29 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 55 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 36 1 0 0 0 0 31 37 2 0 0 0 0 31 62 1 0 0 0 0 32 35 2 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 34 66 1 0 0 0 0 37 67 1 0 0 0 0 38 40 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 41 42 1 0 0 0 0 41 74 1 0 0 0 0 M END > DB15257 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RYAYYVTWKAOAJF-QISPRATLSA-N/SDF?record_type=3d > CC1(C)CCC2(CC1)N[C@H]([C@H](C1=C(F)C(Cl)=NC=C1)[C@]21C(=O)NC2=CC(Cl)=CC=C12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O > InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1 > RYAYYVTWKAOAJF-QISPRATLSA-N > C30H34Cl2FN5O4 > 618.53 > 617.1971882 > 6 > 76 > 62.24897049015252 > 1 > 4 > 0 > 0 > (3'R,4'S,5'R)-N-[(3R,6S)-6-carbamoyloxan-3-yl]-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide > 3.76 > 3.312882683 > -5.15 > 0 > 6 > 1 > 13.414986356966695 > 12.738289782660013 > 8.967851995571245 > 135.44 > 156.81569999999996 > 4 > 0 > 4.41e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$