General Information of the Compound
| Compound ID |
CP0396345
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| Compound Name |
N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
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| Structure |
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| Formula |
C21H21N5O
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| Molecular Weight |
359.433
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| Canonical SMILES |
CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cc3)C#N)n2)cc1
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| InChI |
InChI=1S/C21H21N5O/c1-25(2)19-9-7-16(8-10-19)13-21(27)23-20-11-12-26(24-20)15-18-5-3-17(14-22)4-6-18/h3-12H,13,15H2,1-2H3,(H,23,24,27)
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| InChIKey |
SQQIYROJCRQAKB-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