General Information of the Compound
| Compound ID |
CP0404250
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| Compound Name |
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(3-methylbenzimidazol-5-yl)acetamide
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| Structure |
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| Formula |
C20H17F2N5O
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| Molecular Weight |
381.386
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| Canonical SMILES |
Cn1cnc2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc12
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| InChI |
InChI=1S/C20H17F2N5O/c1-26-12-23-17-5-3-13(9-18(17)26)10-20(28)24-19-6-7-27(25-19)11-14-2-4-15(21)16(22)8-14/h2-9,12H,10-11H2,1H3,(H,24,25,28)
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| InChIKey |
GRKKRAWVMXSXDH-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