General Information of the Compound
| Compound ID |
CP0520044
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| Compound Name |
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C22H19F4N3O
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| Molecular Weight |
417.406
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| Canonical SMILES |
Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)C3CC(F)(F)C3)n2)cc1F
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| InChI |
InChI=1S/C22H19F4N3O/c23-18-6-3-15(9-19(18)24)13-29-8-7-20(28-29)27-21(30)10-14-1-4-16(5-2-14)17-11-22(25,26)12-17/h1-9,17H,10-13H2,(H,27,28,30)
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| InChIKey |
YMZQWRKBOMOMLK-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