General Information of the Compound
| Compound ID |
CP0388379
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| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-17-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-11-hydroxy-10,13-dimethyl-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 |
C31H37NO6S2
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| Molecular Weight |
583.772
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| Canonical SMILES |
Cc1nc(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)sc1C
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| InChI |
InChI=1S/C31H37NO6S2/c1-17-18(2)40-28(32-17)39-16-25(35)31(38-27(36)24-6-5-13-37-24)12-10-22-21-8-7-19-14-20(33)9-11-29(19,3)26(21)23(34)15-30(22,31)4/h5-6,13-14,21-23,26,34H,7-12,15-16H2,1-4H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1
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| InChIKey |
MRXLXWSIZBVXHV-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