General Information of the Compound
| Compound ID |
CP0404835
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| Compound Name |
N-[3-[[5-chloro-2-[3-chloro-4-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H26Cl2N6O3
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| Molecular Weight |
529.428
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| Canonical SMILES |
Clc1cnc(Nc2ccc(OCCN3CCOCC3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H26Cl2N6O3/c1-2-23(34)29-17-4-3-5-18(14-17)30-24-21(27)16-28-25(32-24)31-19-6-7-22(20(26)15-19)36-13-10-33-8-11-35-12-9-33/h2-7,14-16H,1,8-13H2,(H,29,34)(H2,28,30,31,32)
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| InChIKey |
XBWYCZVMIIBSBC-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