General Information of the Compound
| Compound ID |
CP0412185
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| Compound Name |
N-[1-[(4-acetamidophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(NC(C)=O)cc3)n2)cc1
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| InChI |
InChI=1S/C22H25N5O2/c1-16(28)23-19-8-4-18(5-9-19)15-27-13-12-21(25-27)24-22(29)14-17-6-10-20(11-7-17)26(2)3/h4-13H,14-15H2,1-3H3,(H,23,28)(H,24,25,29)
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| InChIKey |
AMXSWGRIUVSMFM-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