General Information of the Compound
| Compound ID |
CP0514397
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| Compound Name |
(1R,6S)-6-(3,5-dichlorophenylcarbamoyl)cyclohex-3-enecarboxylic acid
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| Structure |
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| Formula |
C14H13Cl2NO3
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| Molecular Weight |
314.168
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| Canonical SMILES |
OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C14H13Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h1-2,5-7,11-12H,3-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1
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| InChIKey |
NYNHZOFZAMITQY-NWDGAFQWSA-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