General Information of the Compound
| Compound ID |
CP0915202
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| Compound Name |
4-(3,5-bis(trifluoromethyl)phenyl)-5-methyl-1H-pyrazol-3-amine
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| Structure |
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| Formula |
C12H9F6N3
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| Molecular Weight |
309.213
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C12H9F6N3/c1-5-9(10(19)21-20-5)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-4H,1H3,(H3,19,20,21)
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| InChIKey |
NZBLAPLJBHQNCI-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