Mrv1909 05201915042D 58 65 0 0 1 0 999 V2000 7.2633 1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3273 1.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1357 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8801 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5603 -0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4963 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7519 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3047 -0.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3687 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1131 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7934 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5377 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6018 -2.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9215 -2.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9855 -3.5793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6396 -4.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3636 -4.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6489 -4.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3052 -4.0460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3693 -4.8685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6890 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7531 -6.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9447 -4.9794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2644 -5.4462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1882 -6.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 -6.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -7.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -7.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 -6.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3426 -6.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4187 -5.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -4.7057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0720 -4.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 -3.8843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5710 -3.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2443 -4.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -4.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9938 -3.6713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2391 -2.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0722 -2.9786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1363 -3.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 -4.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -5.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8398 -5.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7525 -2.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6884 -1.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9441 -1.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4767 -3.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 -3.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -2.4614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6086 -1.7119 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -1.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8591 -2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4658 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6834 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 6 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 32 1 0 0 0 0 33 34 1 6 0 0 0 35 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 39 37 1 0 0 0 0 39 40 1 0 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 39 43 1 6 0 0 0 43 44 1 0 0 0 0 25 44 1 0 0 0 0 44 45 2 0 0 0 0 41 46 1 0 0 0 0 46 47 1 0 0 0 0 10 47 1 0 0 0 0 47 48 2 0 0 0 0 5 48 1 0 0 0 0 35 49 1 6 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 2 0 0 0 0 52 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 55 58 1 0 0 0 0 M END > DB15249 > drugbank > COC1=CC2=C(C=C1)N=C1CCCCC[C@@H]3CCC[C@H]3OC(=O)N[C@H]3CCCCC\C=C\[C@@H]4C[C@]4(NC(=O)[C@@H]4C[C@H](CN4C3=O)OC1=N2)C(=O)NS(=O)(=O)C1(C)CC1 > InChI=1S/C42H56N6O9S/c1-41(20-21-41)58(53,54)47-39(51)42-24-27(42)14-8-4-3-5-9-16-32-38(50)48-25-29(23-34(48)36(49)46-42)56-37-31(43-30-19-18-28(55-2)22-33(30)44-37)15-10-6-7-12-26-13-11-17-35(26)57-40(52)45-32/h8,14,18-19,22,26-27,29,32,34-35H,3-7,9-13,15-17,20-21,23-25H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b14-8+/t26-,27-,29-,32+,34+,35-,42-/m1/s1 > BLFKRFGLQFYXDF-WAZRELCSSA-N > C42H56N6O9S > 821.0 > 820.382948581 > 10 > 114 > 86.71234659022414 > 1 > 3 > 0 > 0 > (3R,20R,24R,28S,34E,36S,38R,41S)-9-methoxy-N-[(1-methylcyclopropyl)sulfonyl]-26,40,42-trioxo-4,25-dioxa-1,6,13,27,39-pentaazaheptacyclo[26.13.1.1^{3,41}.0^{5,14}.0^{7,12}.0^{20,24}.0^{36,38}]tritetraconta-5,7(12),8,10,13,34-hexaene-38-carboxamide > 3.67 > 4.740515293413323 > -4.81 > 0 > 8 > -1 > 10.485310980943034 > 3.74791655403716 > 1.7893123859385536 > 195.22 > 211.77950000000004 > 3 > 0 > 1.26e-02 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 > DB15249 > investigational > MK-6325 $$$$