General Information of the Compound
| Compound ID |
CP0383680
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| Compound Name |
(4bR,10bS,12aS)-9-chloro-8-hydroxy-12a-methyl-2,3,4,4a,5,6,10b,11,12,12a-decahydrochrysen-1(4bH)-one
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| Structure |
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| Formula |
C19H23ClO2
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| Molecular Weight |
318.844
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1CCCC2=O
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| InChI |
InChI=1S/C19H23ClO2/c1-19-8-7-12-13(15(19)3-2-4-18(19)22)6-5-11-9-17(21)16(20)10-14(11)12/h9-10,12-13,15,21H,2-8H2,1H3/t12-,13+,15-,19-/m0/s1
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| InChIKey |
JPMPZOSFYWJSOX-QPWUGHHJSA-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