Mrv2304 09082320152D 62 70 0 0 1 0 999 V2000 8.0084 1.1270 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5959 1.8414 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7709 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 1.8414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4834 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 4.6993 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3103 5.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 5.4138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 6.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1209 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1209 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 4.6993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 5.5853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 6.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 2.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1209 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -3.1599 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 6 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 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 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 24 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 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 34 38 1 0 0 0 0 38 39 2 0 0 0 0 31 39 1 0 0 0 0 27 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 48 51 1 0 0 0 0 48 52 1 0 0 0 0 52 53 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 54 60 1 0 0 0 0 43 61 1 0 0 0 0 61 62 1 0 0 0 0 40 62 1 0 0 0 0 M CHG 2 1 -1 2 1 M END > DB18054 > drugbank > [O-][N+](=O)C1=CC(=CC=C1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)C1=CC=C(C=C1OC1=CN=C2NC=CC2=C1)N1CCN(CC2=C(CC3(CCC3)CC2)C2=CC=C(Cl)C=C2)CC1 > InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1 > FNBXDBIYRAPDPI-BHVANESWSA-N > C45H48ClN7O8S > 882.43 > 881.2973604 > 11 > 110 > 2.36810766083509 > 92.79387917173645 > 0 > 3 > 0 > 0 > 4-(4-{[6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}piperazin-1-yl)-N-[4-({[(2S)-1,4-dioxan-2-yl]methyl}amino)-3-nitrobenzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide > 6.112714601669887 > 1 > 0 > 9 > 0 > 12.277097593703497 > 4.215511871759783 > 8.09699797335077 > 181.26000000000002 > 237.8787999999999 > 12 > 0 > 4-(4-{[6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}piperazin-1-yl)-N-(4-{[(2S)-1,4-dioxan-2-ylmethyl]amino}-3-nitrobenzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide > 0 > DB18054 > investigational > Lisaftoclax > 4-(4-((6-(4-chlorophenyl)spiro(3.5)non-6-en-7-yl)methyl)-piperazin-1-yl)-n-((3-nitro-4-(((2s)-1,4-dioxan-2-ylmethyl)amino)phenyl)sulfonyl)-2-(1hpyrrolo(2,3-b)pyridin-5-yloxy)benzamide; 4-{4-{[6-(4-Chlorophenyl)spiro[3.5]non-6-en-7-yl]methyl}-piperazin-1-yl}-N-{{3-nitro-4-[((2S)-1,4-dioxan-2-ylmethyl)amino]phenyl}sulfonyl}-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; Benzamide, 4-(4-((6-(4-chlorophenyl)spiro(3.5)non-6-en-7-yl)methyl)-1-piperazinyl)-n-((4-(((2s)-1,4-dioxan-2-ylmethyl)amino)-3-nitrophenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)- $$$$