General Information of the Compound
| Compound ID |
CP0450414
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| Compound Name |
N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
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| Structure |
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| Formula |
C19H16FN5O
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| Molecular Weight |
349.369
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| Canonical SMILES |
CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4F)n3c2c1
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| InChI |
InChI=1S/C19H16FN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
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| InChIKey |
ASJRPPJEYHNNET-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