General Information of the Compound
| Compound ID |
CP0532763
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| Compound Name |
CHEMBL4212165
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| Formula |
C20H21ClN2O4
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| Molecular Weight |
388.851
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| Canonical SMILES |
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C20H21ClN2O4/c21-14-3-5-15(6-4-14)22-20(26)23-16-7-11-18(12-8-16)27-17-9-1-13(2-10-17)19(24)25/h1-6,9-10,16,18H,7-8,11-12H2,(H,24,25)(H2,22,23,26)/t16-,18-
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| InChIKey |
DSFGVGDSCPUGLO-SAABIXHNSA-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
Protein ID: PT01103, Bifunctional epoxide hydrolase 2
Protein ID: PT01099, Fatty-acid amide hydrolase 1