General Information of the Compound
| Compound ID |
CP0575973
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| Compound Name |
N-[2-[(2R,3R)-3-hydroxy-2-methylpyrrolidin-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 |
C21H21F3N6O2
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| Molecular Weight |
446.433
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| Canonical SMILES |
C[C@@H]1[C@H](O)CCN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N6O2/c1-12-18(31)6-7-30(12)19-8-17(14(10-25-19)21(22,23)24)28-20(32)16-5-3-4-15(27-16)13-9-26-29(2)11-13/h3-5,8-12,18,31H,6-7H2,1-2H3,(H,25,28,32)/t12-,18-/m1/s1
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| InChIKey |
NSGBWKVTGDJMAI-KZULUSFZSA-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