General Information of the Compound
| Compound ID |
CP0374561
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| Compound Name |
(E)-4-(Cyanomethoxy)-3-(3-(4-(4-phenoxybutoxy)phenyl)acryloyl)benzoic acid
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| Structure |
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| Formula |
C28H25NO6
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| Molecular Weight |
471.509
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| Canonical SMILES |
OC(=O)c1ccc(OCC#N)c(c1)C(=O)\C=C\c1ccc(OCCCCOc2ccccc2)cc1
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| InChI |
InChI=1S/C28H25NO6/c29-16-19-35-27-15-11-22(28(31)32)20-25(27)26(30)14-10-21-8-12-24(13-9-21)34-18-5-4-17-33-23-6-2-1-3-7-23/h1-3,6-15,20H,4-5,17-19H2,(H,31,32)/b14-10+
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| InChIKey |
WBEPSBAFTHVJJQ-GXDHUFHOSA-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