General Information of the Compound
| Compound ID |
CP0456788
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| Compound Name |
US8853203, 116
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| Structure |
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| Formula |
C19H18N4O2
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| Molecular Weight |
334.379
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| Canonical SMILES |
CC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1
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| InChI |
InChI=1S/C19H18N4O2/c1-12-10-22(11-21-12)18-8-17-16-5-3-4-14(13(2)24)15(16)6-7-23(17)19(25)9-20-18/h3-5,8,10-11H,6-7,9H2,1-2H3
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| InChIKey |
ITKTZKZAEZBOLW-UHFFFAOYSA-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