General Information of the Compound
| Compound ID |
CP0440871
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| Compound Name |
N-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]-1-phenylmethanamine
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| Structure |
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| Formula |
C24H20ClN5
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| Molecular Weight |
413.912
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| Canonical SMILES |
Cc1nc2ccc(CNCc3ccccc3)cc2n2c(nnc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C24H20ClN5/c1-16-23-28-29-24(19-9-5-6-10-20(19)25)30(23)22-13-18(11-12-21(22)27-16)15-26-14-17-7-3-2-4-8-17/h2-13,26H,14-15H2,1H3
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| InChIKey |
LSOKSPALIMSVDM-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