General Information of the Compound
| Compound ID |
CP0542606
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| Compound Name |
5-(difluoromethyl)-7-[(3S,4R)-4-methyl-1-(4-phenylpyridin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C23H22F2N6
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| Molecular Weight |
420.467
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| Canonical SMILES |
C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)c1cc(ccn1)-c1ccccc1
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| InChI |
InChI=1S/C23H22F2N6/c1-15-8-10-30(21-11-17(7-9-26-21)16-5-3-2-4-6-16)13-18(15)20-12-19(22(24)25)29-23-27-14-28-31(20)23/h2-7,9,11-12,14-15,18,22H,8,10,13H2,1H3/t15-,18-/m1/s1
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| InChIKey |
GMXQOYPSMSJQRK-CRAIPNDOSA-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