General Information of the Compound
Compound ID |
CP0042893
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Compound Name |
ethyl 3-[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]benzoate
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Structure |
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Formula |
C25H28ClN5O3
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Molecular Weight |
481.984
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Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl
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InChI |
InChI=1S/C25H28ClN5O3/c1-4-34-24(32)18-7-5-6-17(14-18)23-20(26)16-27-25(29-23)28-19-8-9-21(22(15-19)33-3)31-12-10-30(2)11-13-31/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,28,29)
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InChIKey |
ANMMEXVLDZGIOZ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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