General Information of the Compound
| Compound ID |
CP0140921
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| Compound Name |
(E)-3-(3'-Adamantan-1-yl-4'-hydroxy-biphenyl-4-yl)-acrylic acid
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| Structure |
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| Formula |
C25H26O3
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| Molecular Weight |
374.48
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C25H26O3/c26-23-7-6-21(20-4-1-16(2-5-20)3-8-24(27)28)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,26H,9-11,13-15H2,(H,27,28)/b8-3+
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| InChIKey |
QAWBIEIZDDIEMW-FPYGCLRLSA-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