General Information of the Compound
| Compound ID |
CP0429179
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| Compound Name |
US8853203, 99r
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| Structure |
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| Formula |
C21H16F2N6O
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| Molecular Weight |
406.396
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| Canonical SMILES |
Cc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3-c3cccnc3F)C2=C1
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| InChI |
InChI=1S/C21H16F2N6O/c1-12-26-11-29(27-12)18-9-17-13-4-5-16(22)20(15-3-2-7-24-21(15)23)14(13)6-8-28(17)19(30)10-25-18/h2-5,7,9,11H,6,8,10H2,1H3
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| InChIKey |
DMHMKPGXHJZNFO-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