General Information of the Compound
| Compound ID |
CP0400410
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| Compound Name |
1-(3-carboxypropyl)-4-oxo-5-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]quinoline-3-carboxylic acid
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| Structure |
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| Formula |
C32H31NO7
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| Molecular Weight |
541.6
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| Canonical SMILES |
OC(=O)CCCn1cc(C(O)=O)c(=O)c2c(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)cccc12
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| InChI |
InChI=1S/C32H31NO7/c34-29(35)12-7-19-33-22-27(32(37)38)31(36)30-24(8-6-11-28(30)33)16-13-23-14-17-26(18-15-23)40-21-5-4-20-39-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,22H,4-5,7,12,19-21H2,(H,34,35)(H,37,38)/b16-13+
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| InChIKey |
FKMWHFNAFDBNRL-DTQAZKPQSA-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