General Information of the Compound
| Compound ID |
CP0498187
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| Compound Name |
(3S)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-3-cyclopentylpropanoic acid
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| Structure |
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| Formula |
C32H37FO4
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| Molecular Weight |
504.642
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CCCC2)cc1C(C)(C)C
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| InChI |
InChI=1S/C32H37FO4/c1-32(2,3)29-16-21(12-14-26(29)28-18-24(36-4)13-15-30(28)33)20-37-25-11-7-10-23(17-25)27(19-31(34)35)22-8-5-6-9-22/h7,10-18,22,27H,5-6,8-9,19-20H2,1-4H3,(H,34,35)/t27-/m0/s1
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| InChIKey |
NCSCCPLHMDCSQG-MHZLTWQESA-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