General Information of the Compound
| Compound ID |
CP0013428
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| Compound Name |
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
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| Structure |
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| Formula |
C19H18F4N4O5
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| Molecular Weight |
458.368
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| Canonical SMILES |
COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
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| InChIKey |
AWJSRXUQLSPAOI-CQSZACIVSA-N
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| CAS |
1476727-50-0
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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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01729, 3',5'-cyclic-AMP phosphodiesterase 7B
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT02504, Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
Protein ID: PT01726, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
Protein ID: PT02393, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
Protein ID: PT03075, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A