General Information of the Compound
| Compound ID |
CP0788333
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| Compound Name |
5-(2-chloro-4-(thiazol-5-yl)phenyl)-3-ethyl-2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C26H27ClN6OS
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| Molecular Weight |
507.063
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| Canonical SMILES |
CCn1c(Nc2ccc(N3CCN(C)CC3)cc2)ncc(-c2ccc(-c3cncs3)cc2Cl)c1=O
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| InChI |
InChI=1S/C26H27ClN6OS/c1-3-33-25(34)22(21-9-4-18(14-23(21)27)24-16-28-17-35-24)15-29-26(33)30-19-5-7-20(8-6-19)32-12-10-31(2)11-13-32/h4-9,14-17H,3,10-13H2,1-2H3,(H,29,30)
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| InChIKey |
NDESJLVJOXCZGF-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