General Information of the Compound
| Compound ID |
CP0572221
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| Compound Name |
(E)-3-[3-(4-methylimidazol-1-yl)-5-[[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzoyl]amino]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C31H26N6O3
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| Molecular Weight |
530.588
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(\C=C\C(O)=O)c1
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| InChI |
InChI=1S/C31H26N6O3/c1-20-8-10-24(16-28(20)36-31-32-13-12-27(35-31)23-6-4-3-5-7-23)30(40)34-25-14-22(9-11-29(38)39)15-26(17-25)37-18-21(2)33-19-37/h3-19H,1-2H3,(H,34,40)(H,38,39)(H,32,35,36)/b11-9+
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| InChIKey |
AUJYRPYGXGKVAW-PKNBQFBNSA-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