General Information of the Compound
Compound ID |
CP0176881
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Compound Name |
1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
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Structure |
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Formula |
C17H18F3N7O2
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Molecular Weight |
409.372
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Canonical SMILES |
CCn1cc(C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)C(F)(F)F)c(OC)n1
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InChI |
InChI=1S/C17H18F3N7O2/c1-4-26-8-11(16(25-26)29-3)15(28)23-13-7-5-6-12(22-13)14-24-21-9-27(14)10(2)17(18,19)20/h5-10H,4H2,1-3H3,(H,22,23,28)/t10-/m0/s1
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InChIKey |
TVQTVQBRVPPOQY-JTQLQIEISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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