General Information of the Compound
| Compound ID |
CP0571561
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| Compound Name |
1-[4-[(E)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)urea
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
COc1c(C)cc(\C=C\C(=O)c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)cc1C
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| InChI |
InChI=1S/C26H26N2O3/c1-17-5-10-22(11-6-17)27-26(30)28-23-12-8-21(9-13-23)24(29)14-7-20-15-18(2)25(31-4)19(3)16-20/h5-16H,1-4H3,(H2,27,28,30)/b14-7+
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| InChIKey |
UGNJKENOQWQDTN-VGOFMYFVSA-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