General Information of the Compound
| Compound ID |
CP0534302
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| Compound Name |
(2E)-2-[[2-[(4-fluorophenyl)methoxy]-5-[(2-methylquinolin-6-yl)methoxy]phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C30H28FNO4
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| Molecular Weight |
485.555
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3nc(C)ccc3c2)ccc1OCc1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C30H28FNO4/c1-3-4-24(30(33)34)16-25-17-27(12-14-29(25)36-18-21-6-10-26(31)11-7-21)35-19-22-8-13-28-23(15-22)9-5-20(2)32-28/h5-17H,3-4,18-19H2,1-2H3,(H,33,34)/b24-16+
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| InChIKey |
GMSMOGYDFYZPBC-LFVJCYFKSA-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