General Information of the Compound
| Compound ID |
CP0562897
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| Compound Name |
6-(1-cyclobutylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C26H29F3N6O2
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| Molecular Weight |
514.552
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| Canonical SMILES |
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H29F3N6O2/c1-25(2,37)17-9-10-34(15-17)19-11-22(23(30-13-19)26(27,28)29)33-24(36)21-8-4-7-20(32-21)16-12-31-35(14-16)18-5-3-6-18/h4,7-8,11-14,17-18,37H,3,5-6,9-10,15H2,1-2H3,(H,33,36)/t17-/m1/s1
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| InChIKey |
MFHHFNYSUNIIMQ-QGZVFWFLSA-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