General Information of the Compound
| Compound ID |
CP0380616
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| Compound Name |
3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]carbamoyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C27H18ClN3O3
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| Molecular Weight |
467.912
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| Canonical SMILES |
OC(=O)c1[nH]c2ccccc2c1C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
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| InChI |
InChI=1S/C27H18ClN3O3/c28-18-11-9-17-10-13-19(29-23(17)15-18)12-8-16-4-3-5-20(14-16)30-26(32)24-21-6-1-2-7-22(21)31-25(24)27(33)34/h1-15,31H,(H,30,32)(H,33,34)/b12-8+
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| InChIKey |
YXPVUOHHIXWUJL-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