General Information of the Compound
| Compound ID |
CP0399519
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| Compound Name |
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-phenyl-4H-pyrazole-1-carboxamide
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| Structure |
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| Formula |
C28H31FN4O3
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| Molecular Weight |
490.579
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)C1(CCO)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H31FN4O3/c1-32(2)17-19-36-25-14-8-22(9-15-25)28(16-18-34)20-26(21-6-4-3-5-7-21)31-33(28)27(35)30-24-12-10-23(29)11-13-24/h3-15,34H,16-20H2,1-2H3,(H,30,35)
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| InChIKey |
OVMAUAKWDNZBTI-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