General Information of the Compound
| Compound ID |
CP0662728
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| Compound Name |
(1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide hydrochloride
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| Structure |
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| Formula |
C24H26ClN5OS
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| Molecular Weight |
468.026
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| Canonical SMILES |
CC(C)c1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
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| InChI |
InChI=1S/C24H25N5OS.ClH/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3;/h5-9,11-14,17H,10H2,1-4H3,(H,26,30);1H/t14-,17-;/m1./s1
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| InChIKey |
AVDWDZWWKUBPKK-SATBOSKTSA-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5