General Information of the Compound
| Compound ID |
CP0388380
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| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
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| Structure |
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| Formula |
C34H38N2O6S
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| Molecular Weight |
602.753
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| Canonical SMILES |
Cn1c(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)nc2ccccc12
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| InChI |
InChI=1S/C34H38N2O6S/c1-32-14-12-21(37)17-20(32)10-11-22-23-13-15-34(33(23,2)18-26(38)29(22)32,42-30(40)27-9-6-16-41-27)28(39)19-43-31-35-24-7-4-5-8-25(24)36(31)3/h4-9,16-17,22-23,26,29,38H,10-15,18-19H2,1-3H3/t22-,23-,26-,29+,32-,33-,34-/m0/s1
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| InChIKey |
IZFWDVQVKHDRFF-ZKZBXCIMSA-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