General Information of the Compound
| Compound ID |
CP0536822
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| Compound Name |
(4R,4aS,8aS)-4-chloro-4a-hydroxy-N-(4-methoxyphenyl)-8a-methyl-3-oxo-2,4,5,6,7,8-hexahydro-1H-naphthalene-2-carboxamide
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| Structure |
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| Formula |
C19H24ClNO4
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| Molecular Weight |
365.857
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| Canonical SMILES |
COc1ccc(NC(=O)C2C[C@]3(C)CCCC[C@@]3(O)[C@@H](Cl)C2=O)cc1
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| InChI |
InChI=1S/C19H24ClNO4/c1-18-9-3-4-10-19(18,24)16(20)15(22)14(11-18)17(23)21-12-5-7-13(25-2)8-6-12/h5-8,14,16,24H,3-4,9-11H2,1-2H3,(H,21,23)/t14?,16-,18-,19+/m0/s1
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| InChIKey |
WDFPQQOSYBAYFX-YBIHNIGNSA-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