General Information of the Compound
| Compound ID |
CP0538446
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| Compound Name |
1-[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C19H18ClN5
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| Molecular Weight |
351.841
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| Canonical SMILES |
CN(C)Cc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
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| InChI |
InChI=1S/C19H18ClN5/c1-12-18-22-23-19(14-6-4-5-7-15(14)20)25(18)17-10-13(11-24(2)3)8-9-16(17)21-12/h4-10H,11H2,1-3H3
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| InChIKey |
XEABXHPHIWCPSN-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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase