General Information of the Compound
| Compound ID |
CP0560084
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| Compound Name |
3-cyclopropyl-3-[3-[[4-[2-(4,4-dimethylpentyl)-5-methoxyphenyl]phenyl]methoxy]phenyl]propanoic acid
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| Formula |
C33H40O4
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| Molecular Weight |
500.679
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| Canonical SMILES |
COc1ccc(CCCC(C)(C)C)c(c1)-c1ccc(COc2cccc(c2)C(CC(O)=O)C2CC2)cc1
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| InChI |
InChI=1S/C33H40O4/c1-33(2,3)18-6-8-24-16-17-28(36-4)20-30(24)25-12-10-23(11-13-25)22-37-29-9-5-7-27(19-29)31(21-32(34)35)26-14-15-26/h5,7,9-13,16-17,19-20,26,31H,6,8,14-15,18,21-22H2,1-4H3,(H,34,35)
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| InChIKey |
BZZFJGXGVNOTIU-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