General Information of the Compound
| Compound ID |
CP0484311
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| Compound Name |
7-[(3S,4R)-1-(4-tert-butylpyridin-2-yl)-4-methylpiperidin-3-yl]-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C21H26F2N6
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| Molecular Weight |
400.477
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| Canonical SMILES |
C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)c1cc(ccn1)C(C)(C)C
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| InChI |
InChI=1S/C21H26F2N6/c1-13-6-8-28(18-9-14(5-7-24-18)21(2,3)4)11-15(13)17-10-16(19(22)23)27-20-25-12-26-29(17)20/h5,7,9-10,12-13,15,19H,6,8,11H2,1-4H3/t13-,15-/m1/s1
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| InChIKey |
ANYCXCQWHUHAKF-UKRRQHHQSA-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