General Information of the Compound
| Compound ID |
CP0414695
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| Compound Name |
7-chloro-3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C29H19Cl2N3O3
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| Molecular Weight |
528.395
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| Canonical SMILES |
OC(=O)c1[nH]c2c(Cl)cccc2c1\C=C\C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
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| InChI |
InChI=1S/C29H19Cl2N3O3/c30-19-10-8-18-9-12-20(32-25(18)16-19)11-7-17-3-1-4-21(15-17)33-26(35)14-13-23-22-5-2-6-24(31)27(22)34-28(23)29(36)37/h1-16,34H,(H,33,35)(H,36,37)/b11-7+,14-13+
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| InChIKey |
CNLJNJBKOVXRBN-GYZZCKOYSA-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