General Information of the Compound
| Compound ID |
CP0556953
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| Compound Name |
2-[5-[3-chloro-4-[[(1R)-1-phenylethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C24H23ClN4O
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| Molecular Weight |
418.928
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1
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| InChI |
InChI=1S/C24H23ClN4O/c1-15(16-7-5-4-6-8-16)29-22-19-11-17(9-10-21(19)26-14-20(22)25)18-12-27-23(28-13-18)24(2,3)30/h4-15,30H,1-3H3,(H,26,29)/t15-/m1/s1
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| InChIKey |
WFACESJCRDGXRJ-OAHLLOKOSA-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