General Information of the Compound
| Compound ID |
CP0421561
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| Compound Name |
2-[5-[3-chloro-4-[1-(2-fluorophenyl)propylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C25H24ClFN4O
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| Molecular Weight |
450.945
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| Canonical SMILES |
CCC(Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F
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| InChI |
InChI=1S/C25H24ClFN4O/c1-4-21(17-7-5-6-8-20(17)27)31-23-18-11-15(9-10-22(18)28-14-19(23)26)16-12-29-24(30-13-16)25(2,3)32/h5-14,21,32H,4H2,1-3H3,(H,28,31)
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| InChIKey |
SCELQBVHISIVJG-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