General Information of the Compound
| Compound ID |
CP0531289
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| Compound Name |
3-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxopropyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C29H22ClN3O3
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| Molecular Weight |
495.966
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| Canonical SMILES |
OC(=O)c1[nH]c2ccccc2c1CCC(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
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| InChI |
InChI=1S/C29H22ClN3O3/c30-20-11-9-19-10-13-21(31-26(19)17-20)12-8-18-4-3-5-22(16-18)32-27(34)15-14-24-23-6-1-2-7-25(23)33-28(24)29(35)36/h1-13,16-17,33H,14-15H2,(H,32,34)(H,35,36)/b12-8+
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| InChIKey |
UCODOAJGJJPFLY-XYOKQWHBSA-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