General Information of the Compound
| Compound ID |
CP0543510
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| Compound Name |
(2E)-2-[[5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-2-(pyridin-4-ylmethoxy)phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C30H27F3N2O5
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| Molecular Weight |
552.549
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccncc1)C(O)=O
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| InChI |
InChI=1S/C30H27F3N2O5/c1-3-4-21(29(36)37)14-22-15-23(6-8-26(22)40-17-19-9-11-34-12-10-19)39-18-20-5-7-25-24(13-20)27(38-2)16-28(35-25)30(31,32)33/h5-16H,3-4,17-18H2,1-2H3,(H,36,37)/b21-14+
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| InChIKey |
UIDGARYWPWDPOA-KGENOOAVSA-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