General Information of the Compound
| Compound ID |
CP0070442
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| Compound Name |
2-[5'-(Adamant-1-yl)-2-chloro-4'-[(2-methoxyethoxy)methoxy]-2'-methylbiphenyl-4-yl]acetic Acid
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| Structure |
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| Formula |
C29H35ClO5
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| Molecular Weight |
499.047
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| Canonical SMILES |
COCCOCOc1cc(C)c(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(CC(O)=O)cc1Cl
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| InChI |
InChI=1S/C29H35ClO5/c1-18-7-27(35-17-34-6-5-33-2)25(29-14-20-8-21(15-29)10-22(9-20)16-29)13-24(18)23-4-3-19(11-26(23)30)12-28(31)32/h3-4,7,11,13,20-22H,5-6,8-10,12,14-17H2,1-2H3,(H,31,32)
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| InChIKey |
HDBFHIYGUZDEQB-UHFFFAOYSA-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