General Information of the Compound
| Compound ID |
CP0407067
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| Compound Name |
US8853203, 73
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| Structure |
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| Formula |
C23H24N6O
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| Molecular Weight |
400.486
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| Canonical SMILES |
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1nccn1C
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| InChI |
InChI=1S/C23H24N6O/c1-15(2)19-13-28(14-26-19)21-11-20-17-5-4-6-18(23-24-8-10-27(23)3)16(17)7-9-29(20)22(30)12-25-21/h4-6,8,10-11,13-15H,7,9,12H2,1-3H3
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| InChIKey |
HLUBCRKGXVBCMQ-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