General Information of the Compound
| Compound ID |
CP0433377
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| Compound Name |
N-benzyl-1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
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| Structure |
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| Formula |
C25H20ClN5O
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| Molecular Weight |
441.922
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
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| InChI |
InChI=1S/C25H20ClN5O/c1-16-23-28-29-24(19-10-6-7-11-20(19)26)31(23)22-14-18(12-13-21(22)27-16)25(32)30(2)15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
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| InChIKey |
YHJHPCMSWXKLIU-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase