General Information of the Compound
| Compound ID |
CP0535015
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| Compound Name |
N-[2-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-(trifluoromethyl)pyridin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H19F3N6O2
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| Molecular Weight |
432.406
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| Canonical SMILES |
C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N6O2/c1-11-17(30)10-29(11)18-6-16(13(8-24-18)20(21,22)23)27-19(31)15-5-3-4-14(26-15)12-7-25-28(2)9-12/h3-9,11,17,30H,10H2,1-2H3,(H,24,27,31)/t11-,17+/m1/s1
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| InChIKey |
YUKWHAZRUFATPE-DIFFPNOSSA-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