General Information of the Compound
| Compound ID |
CP0542453
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| Compound Name |
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-4H-pyrazole-1-carboxamide
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| Structure |
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| Formula |
C30H34FN5O
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| Molecular Weight |
499.634
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| Canonical SMILES |
CN1CCN(CCC2(CC(=NN2C(=O)Nc2ccc(F)cc2)c2ccccc2)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C30H34FN5O/c1-23-8-10-25(11-9-23)30(16-17-35-20-18-34(2)19-21-35)22-28(24-6-4-3-5-7-24)33-36(30)29(37)32-27-14-12-26(31)13-15-27/h3-15H,16-22H2,1-2H3,(H,32,37)
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| InChIKey |
JHWPILZYDOQKHY-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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H