General Information of the Compound
| Compound ID |
CP0894675
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| Compound Name |
(1R,2R)-2-methyl-N-(3-(2-methyl-2H-indazol-5-yl)-4-(6-methylpyridin-2-yl)isothiazol-5-yl)cyclopropanecarboxamide hydrochloride
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| Structure |
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| Formula |
C22H22ClN5OS
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| Molecular Weight |
439.972
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| Canonical SMILES |
Cc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
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| InChI |
InChI=1S/C22H21N5OS.ClH/c1-12-9-16(12)21(28)24-22-19(18-6-4-5-13(2)23-18)20(26-29-22)14-7-8-17-15(10-14)11-27(3)25-17;/h4-8,10-12,16H,9H2,1-3H3,(H,24,28);1H/t12-,16-;/m1./s1
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| InChIKey |
HFUQREXAYXUWTP-VQZRABBESA-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