General Information of the Compound
| Compound ID |
CP0864824
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| Compound Name |
1-(5-amino-4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-1-yl)butan-1-one
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| Structure |
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| Formula |
C14H15Cl2N3O
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| Molecular Weight |
312.2
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| Canonical SMILES |
CCCC(=O)n1nc(C)c(-c2ccc(Cl)c(Cl)c2)c1N
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| InChI |
InChI=1S/C14H15Cl2N3O/c1-3-4-12(20)19-14(17)13(8(2)18-19)9-5-6-10(15)11(16)7-9/h5-7H,3-4,17H2,1-2H3
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| InChIKey |
BGEUJMUVYREEGC-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Protein ID: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Protein ID: PT03652, Mitogen-activated protein kinase kinase kinase 14