General Information of the Compound
| Compound ID |
CP0459414
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| Compound Name |
[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C22H16BrFN2O
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| Molecular Weight |
423.285
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| Canonical SMILES |
Fc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C22H16BrFN2O/c23-18-10-6-15(7-11-18)20-14-21(16-8-12-19(24)13-9-16)26(25-20)22(27)17-4-2-1-3-5-17/h1-13,21H,14H2
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| InChIKey |
MVYVCIKGEFGAJD-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