General Information of the Compound
| Compound ID |
CP0238687
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| Compound Name |
4-[4-[8-fluoro-4-(4-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenoxy]butanoic acid
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| Structure |
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| Formula |
C26H23FO5
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| Molecular Weight |
434.463
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| Canonical SMILES |
OC(=O)CCCOc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C26H23FO5/c27-19-7-12-23-24(16-19)32-15-13-22(17-3-8-20(28)9-4-17)26(23)18-5-10-21(11-6-18)31-14-1-2-25(29)30/h3-12,16,28H,1-2,13-15H2,(H,29,30)
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| InChIKey |
IUOGSZBWLCLRBZ-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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