General Information of the Compound
| Compound ID |
CP0557233
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| Compound Name |
2-[5-[3-chloro-8-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C24H21ClF2N4O
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| Molecular Weight |
454.908
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| Canonical SMILES |
CC(Nc1c(Cl)cnc2c(F)cc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F
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| InChI |
InChI=1S/C24H21ClF2N4O/c1-13(16-6-4-5-7-19(16)26)31-21-17-8-14(9-20(27)22(17)28-12-18(21)25)15-10-29-23(30-11-15)24(2,3)32/h4-13,32H,1-3H3,(H,28,31)
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| InChIKey |
HPYYKZIZHQUEJJ-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