General Information of the Compound
| Compound ID |
CP0554826
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| Compound Name |
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-[4-(2-methoxyethoxy)phenyl]-3-phenyl-4H-pyrazole-1-carboxamide
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| Structure |
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| Formula |
C27H28FN3O4
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| Molecular Weight |
477.536
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| Canonical SMILES |
COCCOc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H28FN3O4/c1-34-17-18-35-24-13-7-21(8-14-24)27(15-16-32)19-25(20-5-3-2-4-6-20)30-31(27)26(33)29-23-11-9-22(28)10-12-23/h2-14,32H,15-19H2,1H3,(H,29,33)
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| InChIKey |
PWUMRLWMPRUWGH-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