General Information of the Compound
| Compound ID |
CP0315219
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| Compound Name |
2-[5-[3-chloro-4-(2,5-dimethylanilino)-2-methylquinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C25H25ClN4O
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| Molecular Weight |
432.955
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| Canonical SMILES |
Cc1ccc(C)c(Nc2c(Cl)c(C)nc3ccc(cc23)-c2cnc(nc2)C(C)(C)O)c1
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| InChI |
InChI=1S/C25H25ClN4O/c1-14-6-7-15(2)21(10-14)30-23-19-11-17(8-9-20(19)29-16(3)22(23)26)18-12-27-24(28-13-18)25(4,5)31/h6-13,31H,1-5H3,(H,29,30)
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| InChIKey |
PZADHIGHKUYCQX-UHFFFAOYSA-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