General Information of the Compound
| Compound ID |
CP0043996
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| Compound Name |
(R)-2-(1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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| Structure |
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| Formula |
C26H26Cl2N4
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| Molecular Weight |
465.428
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H26Cl2N4/c1-17-4-3-12-31(17)13-11-19-5-9-25-20(14-19)6-10-26(30-25)22-16-29-32(18(22)2)21-7-8-23(27)24(28)15-21/h5-10,14-17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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| InChIKey |
PPHJOGOEUDGEOR-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