General Information of the Compound
| Compound ID |
CP0393621
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| Compound Name |
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-quinoxalin-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 |
C34H36N2O6S
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| Molecular Weight |
600.737
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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)CSc1cnc2ccccc2n1
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| InChI |
InChI=1S/C34H36N2O6S/c1-32-13-11-21(37)16-20(32)9-10-22-23-12-14-34(33(23,2)17-26(38)30(22)32,42-31(40)27-8-5-15-41-27)28(39)19-43-29-18-35-24-6-3-4-7-25(24)36-29/h3-8,15-16,18,22-23,26,30,38H,9-14,17,19H2,1-2H3/t22-,23-,26-,30+,32-,33-,34-/m0/s1
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| InChIKey |
CAUBYVSFYCCLJO-CFWAKXNESA-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