General Information of the Compound
| Compound ID |
CP0220342
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| Compound Name |
3-(4-Methoxy-phenyl)-2,4-dimethylene-1,5-diphenyl-pentane-1,5-dione
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| Structure |
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| Formula |
C26H22O3
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| Molecular Weight |
382.459
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| Canonical SMILES |
COc1ccc(cc1)C(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H22O3/c1-18(25(27)21-10-6-4-7-11-21)24(20-14-16-23(29-3)17-15-20)19(2)26(28)22-12-8-5-9-13-22/h4-17,24H,1-2H2,3H3
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| InChIKey |
VLCGLMKWSBSFEC-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8