General Information of the Compound
| Compound ID |
CP0483095
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| Compound Name |
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C21H18F2N4O
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| Molecular Weight |
380.398
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(no1)-c1ccn(Cc2ccc(F)c(F)c2)n1
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| InChI |
InChI=1S/C21H18F2N4O/c1-13(2)15-4-6-16(7-5-15)21-24-20(26-28-21)19-9-10-27(25-19)12-14-3-8-17(22)18(23)11-14/h3-11,13H,12H2,1-2H3
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| InChIKey |
HQIBYGBXHLZFED-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