General Information of the Compound
| Compound ID |
CP0418181
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| Compound Name |
N-[(1R,3R)-3-[(3-cyanobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
O=C(N[C@@H]1CCC[C@H](C1)NC(=O)c1ccccn1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C20H20N4O2/c21-13-14-5-3-6-15(11-14)19(25)23-16-7-4-8-17(12-16)24-20(26)18-9-1-2-10-22-18/h1-3,5-6,9-11,16-17H,4,7-8,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
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| InChIKey |
WSQGEPYGCDINHA-IAGOWNOFSA-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5