General Information of the Compound
| Compound ID |
CP0374567
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| Compound Name |
(E)-4-(3-(4-(4-(4-Chlorophenoxy)butoxy)phenyl)acryloyl)-3-(cyanomethoxy)benzoic acid
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| Structure |
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| Formula |
C28H24ClNO6
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| Molecular Weight |
505.954
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| Canonical SMILES |
OC(=O)c1ccc(C(=O)\C=C\c2ccc(OCCCCOc3ccc(Cl)cc3)cc2)c(OCC#N)c1
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| InChI |
InChI=1S/C28H24ClNO6/c29-22-7-11-24(12-8-22)35-17-2-1-16-34-23-9-3-20(4-10-23)5-14-26(31)25-13-6-21(28(32)33)19-27(25)36-18-15-30/h3-14,19H,1-2,16-18H2,(H,32,33)/b14-5+
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| InChIKey |
ZTHMJAISOYJLLS-LHHJGKSTSA-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