General Information of the Compound
| Compound ID |
CP0385743
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| Compound Name |
1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
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| Structure |
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| Formula |
C23H23ClN6O2
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| Molecular Weight |
450.93
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| Canonical SMILES |
Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C23H23ClN6O2/c1-15-21-27-28-22(17-4-2-3-5-18(17)24)30(21)20-14-16(6-7-19(20)26-15)23(31)25-8-9-29-10-12-32-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,31)
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| InChIKey |
IFWAHVQKYGJWGP-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