General Information of the Compound
| Compound ID |
CP0255833
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| Compound Name |
N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
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| Structure |
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| Formula |
C21H18F3N5O2
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| Molecular Weight |
429.402
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| Canonical SMILES |
Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F
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| InChI |
InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)
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| InChIKey |
ATAZIWXKOZRZRN-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: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
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