General Information of the Compound
| Compound ID |
CP0091072
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| Compound Name |
(R)-2-(5-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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| Structure |
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| Formula |
C27H28F3N5
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| Molecular Weight |
479.55
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1cc(cc(C)n1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N5/c1-17-13-22(27(28,29)30)15-26(32-17)35-19(3)23(16-31-35)25-9-7-21-14-20(6-8-24(21)33-25)10-12-34-11-4-5-18(34)2/h6-9,13-16,18H,4-5,10-12H2,1-3H3/t18-/m1/s1
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| InChIKey |
SUZTVAUFNKMZOU-GOSISDBHSA-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