General Information of the Compound
| Compound ID |
CP0474178
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| Compound Name |
(2E)-2-[[2-[(4-fluorobenzoyl)amino]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C31H26F4N2O5
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| Molecular Weight |
582.55
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1NC(=O)c1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C31H26F4N2O5/c1-3-4-20(30(39)40)14-21-15-23(10-12-25(21)37-29(38)19-6-8-22(32)9-7-19)42-17-18-5-11-26-24(13-18)27(41-2)16-28(36-26)31(33,34)35/h5-16H,3-4,17H2,1-2H3,(H,37,38)(H,39,40)/b20-14+
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| InChIKey |
AUBCUGYRAYSYDB-XSFVSMFZSA-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