General Information of the Compound
| Compound ID |
CP0360939
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-17-[2-(3,4-dichlorophenyl)sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C27H32Cl2O4S
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| Molecular Weight |
523.522
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H32Cl2O4S/c1-25-9-7-16(30)11-15(25)3-5-18-19-8-10-27(33,26(19,2)13-22(31)24(18)25)23(32)14-34-17-4-6-20(28)21(29)12-17/h4,6,11-12,18-19,22,24,31,33H,3,5,7-10,13-14H2,1-2H3/t18-,19-,22-,24+,25-,26-,27-/m0/s1
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| InChIKey |
OVUYGYQTQANYIA-FSQLNXNWSA-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