General Information of the Compound
| Compound ID |
CP0534164
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| Compound Name |
(4R,4aS,8aS)-4-chloro-4a-hydroxy-8a-methyl-3-oxo-N-phenyl-2,4,5,6,7,8-hexahydro-1H-naphthalene-2-carboxamide
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| Structure |
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| Formula |
C18H22ClNO3
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| Molecular Weight |
335.831
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| Canonical SMILES |
C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)C(C2)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C18H22ClNO3/c1-17-9-5-6-10-18(17,23)15(19)14(21)13(11-17)16(22)20-12-7-3-2-4-8-12/h2-4,7-8,13,15,23H,5-6,9-11H2,1H3,(H,20,22)/t13?,15-,17-,18+/m0/s1
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| InChIKey |
IPAFCYNTBYBTIB-ZJEIBCLVSA-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