General Information of the Compound
| Compound ID |
CP0568290
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| Compound Name |
2-[5-[3-chloro-4-[1-(3-fluorophenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C24H22ClFN4O
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| Molecular Weight |
436.918
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| Canonical SMILES |
CC(Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1cccc(F)c1
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| InChI |
InChI=1S/C24H22ClFN4O/c1-14(15-5-4-6-18(26)9-15)30-22-19-10-16(7-8-21(19)27-13-20(22)25)17-11-28-23(29-12-17)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)
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| InChIKey |
OYECHCQRUDNDTI-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