General Information of the Compound
| Compound ID |
CP0426102
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| Compound Name |
methyl 3-[5-[(4-chlorophenyl)carbamoylamino]thiophen-2-yl]benzoate
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| Structure |
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| Formula |
C19H15ClN2O3S
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| Molecular Weight |
386.86
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C19H15ClN2O3S/c1-25-18(23)13-4-2-3-12(11-13)16-9-10-17(26-16)22-19(24)21-15-7-5-14(20)6-8-15/h2-11H,1H3,(H2,21,22,24)
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| InChIKey |
LCZPVSNAFBBHJI-UHFFFAOYSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2