General Information of the Compound
| Compound ID |
CP0440836
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| Compound Name |
(1R,2R)-N-[4-(6-cyclopentylpyridin-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 |
C26H27N5OS
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| Molecular Weight |
457.603
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| Canonical SMILES |
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(n1)C1CCCC1)-c1ccc2nn(C)cc2c1
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| InChI |
InChI=1S/C26H27N5OS/c1-15-12-19(15)25(32)28-26-23(22-9-5-8-20(27-22)16-6-3-4-7-16)24(30-33-26)17-10-11-21-18(13-17)14-31(2)29-21/h5,8-11,13-16,19H,3-4,6-7,12H2,1-2H3,(H,28,32)/t15-,19-/m1/s1
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| InChIKey |
QQBUKBJTUTUJSQ-DNVCBOLYSA-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