General Information of the Compound
| Compound ID |
CP0412178
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| Compound Name |
2-(4-tert-butylphenyl)-N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C22H23N5O
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| Molecular Weight |
373.46
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| Canonical SMILES |
CC(C)(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1
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| InChI |
InChI=1S/C22H23N5O/c1-22(2,3)18-7-4-16(5-8-18)12-21(28)25-20-10-11-27(26-20)15-19-9-6-17(13-23)14-24-19/h4-11,14H,12,15H2,1-3H3,(H,25,26,28)
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| InChIKey |
XZPYWTFDULVLJE-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