General Information of the Compound
| Compound ID |
CP0864303
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| Compound Name |
(1R,2R)-N-(4-(6-ethylpyridin-2-yl)-3-(2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide 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 |
CCc1cccc(-c2c(-c3ccc4n[nH]cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
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| InChI |
InChI=1S/C22H21N5OS.ClH/c1-3-15-5-4-6-18(24-15)19-20(13-7-8-17-14(10-13)11-23-26-17)27-29-22(19)25-21(28)16-9-12(16)2;/h4-8,10-12,16H,3,9H2,1-2H3,(H,23,26)(H,25,28);1H/t12-,16-;/m1./s1
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| InChIKey |
KYVCPWRQMLHDBR-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