General Information of the Compound
| Compound ID |
CP0471801
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| Compound Name |
2-(4-tert-butylphenyl)-N-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
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| Structure |
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| Formula |
C21H22F2N4O
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| Molecular Weight |
384.43
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| Canonical SMILES |
CC(C)(C)c1ccc(CC(=O)Nc2ncn(Cc3ccc(F)c(F)c3)n2)cc1
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| InChI |
InChI=1S/C21H22F2N4O/c1-21(2,3)16-7-4-14(5-8-16)11-19(28)25-20-24-13-27(26-20)12-15-6-9-17(22)18(23)10-15/h4-10,13H,11-12H2,1-3H3,(H,25,26,28)
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| InChIKey |
AVPUDFIGAQYICF-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