General Information of the Compound
| Compound ID |
CP0408544
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| Compound Name |
1-[(3,4-difluorophenyl)methyl]-N-[[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H19F4N5O
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| Molecular Weight |
433.409
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| Canonical SMILES |
Fc1ccc(Cn2ccc(n2)C(=O)NCc2ccc(nc2)N2CCC(F)(F)C2)cc1F
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| InChI |
InChI=1S/C21H19F4N5O/c22-16-3-1-14(9-17(16)23)12-30-7-5-18(28-30)20(31)27-11-15-2-4-19(26-10-15)29-8-6-21(24,25)13-29/h1-5,7,9-10H,6,8,11-13H2,(H,27,31)
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| InChIKey |
UFPKGRZJBZMOLS-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I