General Information of the Compound
| Compound ID |
CP0447528
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| Compound Name |
N-[(1R,3R)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
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| Structure |
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| Formula |
C20H20ClFN2O2
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| Molecular Weight |
374.843
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| Canonical SMILES |
Fc1cccc(c1)C(=O)N[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H20ClFN2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-2,4-7,10-11,17-18H,3,8-9,12H2,(H,23,25)(H,24,26)/t17-,18-/m1/s1
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| InChIKey |
YLQJLHCKRNGVIP-QZTJIDSGSA-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