General Information of the Compound
| Compound ID |
CP0261919
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| Compound Name |
(E)-1,4-bis(4-methylphenyl)-2-butene-1,4-dione
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| Structure |
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| Formula |
C18H16O2
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| Molecular Weight |
264.324
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)\C=C\C(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C18H16O2/c1-13-3-7-15(8-4-13)17(19)11-12-18(20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11+
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| InChIKey |
XHTZEZLDTOKEGI-VAWYXSNFSA-N
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| CAS |
5465-41-8
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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