General Information of the Compound
| Compound ID |
CP0577559
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| Compound Name |
N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl]-6-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H28F6N6O2
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| Molecular Weight |
582.549
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| Canonical SMILES |
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)c1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F6N6O2/c1-24(2,41)17-6-9-38(14-17)18-10-21(22(34-12-18)26(28,29)30)37-23(40)20-5-3-4-19(36-20)16-11-35-39(13-16)15-25(7-8-25)27(31,32)33/h3-5,10-13,17,41H,6-9,14-15H2,1-2H3,(H,37,40)/t17-/m1/s1
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| InChIKey |
RDHCLVFMADHPEQ-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