General Information of the Compound
| Compound ID |
CP0396377
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| Compound Name |
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(oxetan-3-yloxy)phenyl]acetamide
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| Structure |
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| Formula |
C21H19F2N3O3
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| Molecular Weight |
399.397
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| Canonical SMILES |
Fc1ccc(Cn2ccc(NC(=O)Cc3ccc(OC4COC4)cc3)n2)cc1F
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| InChI |
InChI=1S/C21H19F2N3O3/c22-18-6-3-15(9-19(18)23)11-26-8-7-20(25-26)24-21(27)10-14-1-4-16(5-2-14)29-17-12-28-13-17/h1-9,17H,10-13H2,(H,24,25,27)
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| InChIKey |
XRLHIDQMAJVNCG-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