General Information of the Compound
| Compound ID |
CP0425771
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| Compound Name |
(1R,2R)-N-[4-(6-methoxypyridin-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 |
C22H21N5O2S
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| Molecular Weight |
419.51
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| Canonical SMILES |
COc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1
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| InChI |
InChI=1S/C22H21N5O2S/c1-12-9-15(12)21(28)24-22-19(17-5-4-6-18(23-17)29-3)20(26-30-22)13-7-8-16-14(10-13)11-27(2)25-16/h4-8,10-12,15H,9H2,1-3H3,(H,24,28)/t12-,15-/m1/s1
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| InChIKey |
MRIYQDALPQSCHI-IUODEOHRSA-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