General Information of the Compound
| Compound ID |
CP0534552
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| Compound Name |
3-[[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-propan-2-ylsulfanyl-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(18),6,8,10(21),16,19-hexaen-2-yl]amino]benzamide
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| Structure |
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| Formula |
C31H36N4O4S
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| Molecular Weight |
560.72
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| Canonical SMILES |
CCc1cc2ccc1CCOC(=O)Nc1ccc(SC(C)C)c(CN(C)C(=O)[C@@H]2Nc2cccc(c2)C(N)=O)c1
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| InChI |
InChI=1S/C31H36N4O4S/c1-5-20-15-22-10-9-21(20)13-14-39-31(38)34-26-11-12-27(40-19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1
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| InChIKey |
PZGSRGCSNBVVFG-MUUNZHRXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound