General Information of the Compound
| Compound ID |
CP0489469
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| Compound Name |
4-(2-(2-Carboxy-ethyl)-3-{6-[3'-fluoro-5-(1H-indol-5-yl)-biphenyl-3-yloxy]-hexyl}-phenoxy)-butyric acid
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| Structure |
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| Formula |
C39H40FNO6
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| Molecular Weight |
637.748
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3[nH]ccc3c2)-c2cccc(F)c2)c1CCC(O)=O
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| InChI |
InChI=1S/C39H40FNO6/c40-33-11-5-10-28(24-33)31-23-32(29-14-16-36-30(22-29)18-19-41-36)26-34(25-31)46-20-4-2-1-3-8-27-9-6-12-37(35(27)15-17-39(44)45)47-21-7-13-38(42)43/h5-6,9-12,14,16,18-19,22-26,41H,1-4,7-8,13,15,17,20-21H2,(H,42,43)(H,44,45)
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| InChIKey |
RXYLPMOUGCSLRJ-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