General Information of the Compound
| Compound ID |
CP0529339
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| Compound Name |
(2R)-2-[4-[4-[(2R)-2-carboxy-2-(4-phenylphenoxy)ethyl]phenyl]phenoxy]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C36H30O6
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| Molecular Weight |
558.63
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| Canonical SMILES |
OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(C[C@@H](Oc2ccc(cc2)-c2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C36H30O6/c37-35(38)33(23-25-7-3-1-4-8-25)41-32-21-17-30(18-22-32)28-13-11-26(12-14-28)24-34(36(39)40)42-31-19-15-29(16-20-31)27-9-5-2-6-10-27/h1-22,33-34H,23-24H2,(H,37,38)(H,39,40)/t33-,34-/m1/s1
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| InChIKey |
IIQJBVKNHBQWHS-KKLWWLSJSA-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