General Information of the Compound
| Compound ID |
CP0532945
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| Compound Name |
[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
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| Formula |
C18H16F3N5O
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| Molecular Weight |
375.354
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1ccnc2ncnn12
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| InChI |
InChI=1S/C18H16F3N5O/c19-18(20,21)14-5-3-12(4-6-14)16(27)25-9-1-2-13(10-25)15-7-8-22-17-23-11-24-26(15)17/h3-8,11,13H,1-2,9-10H2/t13-/m0/s1
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| InChIKey |
JKSXJOKIOBKRPN-ZDUSSCGKSA-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
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A