General Information of the Compound
| Compound ID |
CP0206772
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| Compound Name |
(2E)-3-{3-chloro-4-[3-(3,5-dimethyladamantan-1-yl)-4-hydroxyphenyl]phenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C27H29ClO3
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| Molecular Weight |
436.979
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| Canonical SMILES |
CC12CC3CC(C)(C1)CC(C3)(C2)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+
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| InChIKey |
DIXYWCRPNNUEHU-XBXARRHUSA-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