General Information of the Compound
| Compound ID |
CP0482195
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| Compound Name |
1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
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| Structure |
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| Formula |
C23H23ClN6O
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| Molecular Weight |
434.931
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| Canonical SMILES |
Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C23H23ClN6O/c1-15-21-27-28-22(17-6-2-3-7-18(17)24)30(21)20-14-16(8-9-19(20)26-15)23(31)25-10-13-29-11-4-5-12-29/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,25,31)
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| InChIKey |
KTVOIZSPBSYWIC-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