General Information of the Compound
| Compound ID |
CP0227177
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| Compound Name |
N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]acetamide
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| Structure |
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| Formula |
C22H20F3N5O2
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| Molecular Weight |
443.429
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| Canonical SMILES |
Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCCC(F)(F)F
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| InChI |
InChI=1S/C22H20F3N5O2/c1-15-10-16(3-5-19(15)32-9-7-22(23,24)25)11-21(31)28-20-6-8-30(29-20)14-18-4-2-17(12-26)13-27-18/h2-6,8,10,13H,7,9,11,14H2,1H3,(H,28,29,31)
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| InChIKey |
RNCVBSIKEFZPOC-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