General Information of the Compound
| Compound ID |
CP0397657
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| Compound Name |
2-chloro-5-[3-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)phenyl]benzoic acid
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| Structure |
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| Formula |
C26H22ClNO3
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| Molecular Weight |
431.919
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| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(c1)-c1ccc2C(=O)N(Cc2c1)C1CCCC1
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| InChI |
InChI=1S/C26H22ClNO3/c27-24-11-9-19(14-23(24)26(30)31)17-5-3-4-16(12-17)18-8-10-22-20(13-18)15-28(25(22)29)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15H2,(H,30,31)
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| InChIKey |
PPCUNFCLHSRGJB-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3
Protein ID: PT02446, Metabotropic glutamate receptor 4
Protein ID: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT02445, Metabotropic glutamate receptor 6
Protein ID: PT04980, Metabotropic glutamate receptor 8