General Information of the Compound
| Compound ID |
CP0554721
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| Compound Name |
(2E)-2-[[5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]-2-(2-piperazin-1-ylethoxy)phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C30H34F3N3O5
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| Molecular Weight |
573.612
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCCN1CCNCC1)C(O)=O
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| InChI |
InChI=1S/C30H34F3N3O5/c1-3-4-21(29(37)38)16-22-17-23(6-8-26(22)40-14-13-36-11-9-34-10-12-36)41-19-20-5-7-25-24(15-20)27(39-2)18-28(35-25)30(31,32)33/h5-8,15-18,34H,3-4,9-14,19H2,1-2H3,(H,37,38)/b21-16+
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| InChIKey |
KAYPKDQOZARIBE-LTGZKZEYSA-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