General Information of the Compound
| Compound ID |
CP0411554
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| Compound Name |
4-[1-(carboxymethyl)-2-methyl-7-[(E)-2-[4-[4-(2,3,4,6-tetrafluorophenyl)butoxy]phenyl]ethenyl]indol-3-yl]butanoic acid
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| Structure |
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| Formula |
C33H31F4NO5
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| Molecular Weight |
597.605
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| Canonical SMILES |
Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(O)=O
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| InChI |
InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-27(34)18-28(35)32(37)31(26)36/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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| InChIKey |
ANIDECMVXLMTSQ-SDNWHVSQSA-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
Protein ID: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2