General Information of the Compound
| Compound ID |
CP0571182
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| Compound Name |
1-[4-[(E)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-enoyl]phenyl]-3-propan-2-ylurea
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COc1c(C)cc(\C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1C
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| InChI |
InChI=1S/C22H26N2O3/c1-14(2)23-22(26)24-19-9-7-18(8-10-19)20(25)11-6-17-12-15(3)21(27-5)16(4)13-17/h6-14H,1-5H3,(H2,23,24,26)/b11-6+
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| InChIKey |
XUUJMZJAQBXROZ-IZZDOVSWSA-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