General Information of the Compound
| Compound ID |
CP0419693
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| Compound Name |
[4-[5-tert-butyl-3-(2,3-difluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Formula |
C26H32F2N4O2
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| Molecular Weight |
470.564
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| Canonical SMILES |
COc1ccc(C2CC(=NN2c2ccc(cc2)C(=O)N2CCN(C)CC2)C(C)(C)C)c(F)c1F
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| InChI |
InChI=1S/C26H32F2N4O2/c1-26(2,3)22-16-20(19-10-11-21(34-5)24(28)23(19)27)32(29-22)18-8-6-17(7-9-18)25(33)31-14-12-30(4)13-15-31/h6-11,20H,12-16H2,1-5H3
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| InChIKey |
INLXRJLYIMPNFU-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01875, 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
Protein ID: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT03334, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
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: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A
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