General Information of the Compound
| Compound ID |
CP0390349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H19Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
528.395
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H19Cl2N3O3/c30-19-7-5-18-6-10-21(32-25(18)15-19)9-4-17-2-1-3-22(14-17)33-27(35)13-12-24-23-11-8-20(31)16-26(23)34-28(24)29(36)37/h1-16,34H,(H,33,35)(H,36,37)/b9-4+,13-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCTYCLNQJSPOCO-IUZWSJCJSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2