General Information of the Compound
| Compound ID |
CP0452632
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| Compound Name |
(1R,2R)-N-[4-[6-(difluoromethyl)pyridin-2-yl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C22H19F2N5OS
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| Molecular Weight |
439.491
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| Canonical SMILES |
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C(F)F)-c1ccc2nn(C)cc2c1
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| InChI |
InChI=1S/C22H19F2N5OS/c1-11-8-14(11)21(30)26-22-18(16-4-3-5-17(25-16)20(23)24)19(28-31-22)12-6-7-15-13(9-12)10-29(2)27-15/h3-7,9-11,14,20H,8H2,1-2H3,(H,26,30)/t11-,14-/m1/s1
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| InChIKey |
LKDNBDVNZXUBSU-BXUZGUMPSA-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