General Information of the Compound
| Compound ID |
CP0145473
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H34N2O4S
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| Molecular Weight |
506.668
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| Canonical SMILES |
Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12
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| InChI |
InChI=1S/C29H34N2O4S/c1-27-12-10-18(32)14-17(27)8-9-19-20-11-13-29(35,28(20,2)15-23(33)25(19)27)24(34)16-36-26-30-21-6-4-5-7-22(21)31(26)3/h4-7,10,12,14,19-20,23,25,33,35H,8-9,11,13,15-16H2,1-3H3/t19-,20-,23-,25+,27-,28-,29-/m0/s1
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| InChIKey |
CRJJIECNFFXCPM-AVKOWRSVSA-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