General Information of the Compound
| Compound ID |
CP0396376
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| Compound Name |
N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
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| Structure |
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| Formula |
C21H22F2N4O2
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| Molecular Weight |
400.429
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| Canonical SMILES |
COc1c(F)cc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1F
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| InChI |
InChI=1S/C21H22F2N4O2/c1-26(2)16-6-4-14(5-7-16)12-20(28)24-19-8-9-27(25-19)13-15-10-17(22)21(29-3)18(23)11-15/h4-11H,12-13H2,1-3H3,(H,24,25,28)
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| InChIKey |
QVLLKIOUTFTWMC-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