General Information of the Compound
| Compound ID |
CP0397658
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| Compound Name |
2-chloro-5-[3-[(2-cyclopropyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C24H18ClNO4S
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| Molecular Weight |
451.931
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| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1
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| InChI |
InChI=1S/C24H18ClNO4S/c25-21-9-4-16(11-20(21)24(28)29)15-3-1-2-14(10-15)13-30-18-7-8-19-22(12-18)31-26(23(19)27)17-5-6-17/h1-4,7-12,17H,5-6,13H2,(H,28,29)
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| InChIKey |
RBQZSTHTHNKFHW-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: PT03457, Metabotropic glutamate receptor 7
Protein ID: PT04980, Metabotropic glutamate receptor 8