General Information of the Compound
| Compound ID |
CP0153500
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| Compound Name |
(E)-3-[5'-(Adamant-1-yl)-2-chloro-4'-hydroxy-2'-methylbiphenyl-4-yl]acrylic acid
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| Structure |
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| Formula |
C26H27ClO3
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| Molecular Weight |
422.952
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| Canonical SMILES |
Cc1cc(O)c(cc1-c1ccc(\C=C\C(O)=O)cc1Cl)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C26H27ClO3/c1-15-6-24(28)22(26-12-17-7-18(13-26)9-19(8-17)14-26)11-21(15)20-4-2-16(10-23(20)27)3-5-25(29)30/h2-6,10-11,17-19,28H,7-9,12-14H2,1H3,(H,29,30)/b5-3+
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| InChIKey |
HZSNUNIQSKOBFH-HWKANZROSA-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