General Information of the Compound
| Compound ID |
CP0385433
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-17-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H36N2O4S
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| Molecular Weight |
520.695
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| Canonical SMILES |
CCn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12
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| InChI |
InChI=1S/C30H36N2O4S/c1-4-32-23-8-6-5-7-22(23)31-27(32)37-17-25(35)30(36)14-12-21-20-10-9-18-15-19(33)11-13-28(18,2)26(20)24(34)16-29(21,30)3/h5-8,11,13,15,20-21,24,26,34,36H,4,9-10,12,14,16-17H2,1-3H3/t20-,21-,24-,26+,28-,29-,30-/m0/s1
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| InChIKey |
MEZDHDTXUQZPBI-TZRXZVNOSA-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