General Information of the Compound
| Compound ID |
CP0461036
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| Compound Name |
(4S,4aR,8aR)-4-chloro-4a-hydroxy-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 |
C12H18ClNO3
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| Molecular Weight |
259.733
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| Canonical SMILES |
C[C@]12CCCC[C@]1(O)[C@H](Cl)C(=O)C(C2)C(N)=O
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| InChI |
InChI=1S/C12H18ClNO3/c1-11-4-2-3-5-12(11,17)9(13)8(15)7(6-11)10(14)16/h7,9,17H,2-6H2,1H3,(H2,14,16)/t7?,9-,11-,12+/m1/s1
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| InChIKey |
XYIXITXUJORHQI-WGKATETLSA-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