General Information of the Compound
| Compound ID |
CP0481947
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| Compound Name |
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole
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| Structure |
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| Formula |
C22H21F2N5
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| Molecular Weight |
393.441
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| Canonical SMILES |
CC(C)c1ccc(Cc2nnc([nH]2)-c2ccn(Cc3ccc(F)c(F)c3)n2)cc1
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| InChI |
InChI=1S/C22H21F2N5/c1-14(2)17-6-3-15(4-7-17)12-21-25-22(27-26-21)20-9-10-29(28-20)13-16-5-8-18(23)19(24)11-16/h3-11,14H,12-13H2,1-2H3,(H,25,26,27)
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| InChIKey |
NTXMDWIHQBXDSP-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