General Information of the Compound
| Compound ID |
CP0395062
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| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-pyrimidin-2-ylsulfanylacetyl)-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 |
C30H34N2O6S
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| Molecular Weight |
550.677
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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(OC(=O)c1ccco1)C(=O)CSc1ncccn1
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| InChI |
InChI=1S/C30H34N2O6S/c1-28-10-8-19(33)15-18(28)6-7-20-21-9-11-30(29(21,2)16-22(34)25(20)28,38-26(36)23-5-3-14-37-23)24(35)17-39-27-31-12-4-13-32-27/h3-5,12-15,20-22,25,34H,6-11,16-17H2,1-2H3/t20-,21-,22-,25+,28-,29-,30-/m0/s1
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| InChIKey |
HSXNSRBZLVWICT-UWSAGTQUSA-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