General Information of the Compound
| Compound ID |
CP0573429
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| Compound Name |
2-[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]-N-methylpyridine-4-carboxamide
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| Formula |
C19H21F2N7O
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| Molecular Weight |
401.421
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| Canonical SMILES |
CNC(=O)c1ccnc(c1)N1CCC(C)C(C1)c1cc(nc2ncnn12)C(F)F
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| InChI |
InChI=1S/C19H21F2N7O/c1-11-4-6-27(16-7-12(3-5-23-16)18(29)22-2)9-13(11)15-8-14(17(20)21)26-19-24-10-25-28(15)19/h3,5,7-8,10-11,13,17H,4,6,9H2,1-2H3,(H,22,29)
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| InChIKey |
IVOPGUDJAXXMCV-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: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A