General Information of the Compound
| Compound ID |
CP0446028
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| Compound Name |
CHEMBL2152119
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| Formula |
C23H21ClF3N3O
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| Molecular Weight |
447.888
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl
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| InChI |
InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2/t16-,18-
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| InChIKey |
MTJBRWBGLFWUGE-SAABIXHNSA-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: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01311, Metabotropic glutamate receptor 7