General Information of the Compound
| Compound ID |
CP0871658
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| Compound Name |
(1R,2R)-N-(4-(6-cyclopropylpyridin-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 |
C24H24ClN5OS
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| Molecular Weight |
466.01
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| Canonical SMILES |
C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CC2)n1.Cl
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| InChI |
InChI=1S/C24H23N5OS.ClH/c1-13-10-17(13)23(30)26-24-21(20-5-3-4-18(25-20)14-6-7-14)22(28-31-24)15-8-9-19-16(11-15)12-29(2)27-19;/h3-5,8-9,11-14,17H,6-7,10H2,1-2H3,(H,26,30);1H/t13-,17-;/m1./s1
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| InChIKey |
CXGMXDGSMOXWGU-UFIUYGHPSA-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