General Information of the Compound
| Compound ID |
CP0865123
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| Compound Name |
N-(4-Cyano-1-(3,4-difluorobenzyl)-1H-pyrazol-3-yl)-2-(1-methyl-1H-indazol-5-yl)acetamide
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| Structure |
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| Formula |
C21H16F2N6O
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| Molecular Weight |
406.396
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| Canonical SMILES |
Cn1ncc2cc(CC(=O)Nc3nn(Cc4ccc(F)c(F)c4)cc3C#N)ccc21
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| InChI |
InChI=1S/C21H16F2N6O/c1-28-19-5-3-13(6-15(19)10-25-28)8-20(30)26-21-16(9-24)12-29(27-21)11-14-2-4-17(22)18(23)7-14/h2-7,10,12H,8,11H2,1H3,(H,26,27,30)
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| InChIKey |
TZDWHPRZIBFLNB-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