General Information of the Compound
| Compound ID |
CP0458630
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| Compound Name |
N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C19H12ClN3O3S
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| Molecular Weight |
397.843
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| Canonical SMILES |
Clc1ccc(NC(=O)c2cncs2)c(CN2C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C19H12ClN3O3S/c20-12-5-6-15(22-17(24)16-8-21-10-27-16)11(7-12)9-23-18(25)13-3-1-2-4-14(13)19(23)26/h1-8,10H,9H2,(H,22,24)
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| InChIKey |
XHXBNRQFCDKQLL-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: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT01247, Metabotropic glutamate receptor 5