General Information of the Compound
| Compound ID |
CP0390323
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| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
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| Structure |
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| Formula |
C31H34N2O6S
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| Molecular Weight |
562.688
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| Canonical SMILES |
Cc1ccnc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)n1
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| InChI |
InChI=1S/C31H34N2O6S/c1-18-10-13-32-28(33-18)40-17-25(36)31(39-27(37)24-5-4-14-38-24)12-9-22-21-7-6-19-15-20(34)8-11-29(19,2)26(21)23(35)16-30(22,31)3/h4-5,8,10-11,13-15,21-23,26,35H,6-7,9,12,16-17H2,1-3H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1
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| InChIKey |
KSRIKGOILKPPNR-GXZDQMACSA-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