General Information of the Compound
| Compound ID |
CP0570382
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| Compound Name |
2-[5-[3-chloro-4-[[1-(2-fluorophenyl)-2-methylpropyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C26H26ClFN4O
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| Molecular Weight |
464.972
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| Canonical SMILES |
CC(C)C(Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F
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| InChI |
InChI=1S/C26H26ClFN4O/c1-15(2)23(18-7-5-6-8-21(18)28)32-24-19-11-16(9-10-22(19)29-14-20(24)27)17-12-30-25(31-13-17)26(3,4)33/h5-15,23,33H,1-4H3,(H,29,32)
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| InChIKey |
SILTZDMWDNFMPQ-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