General Information of the Compound
| Compound ID |
CP0380350
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| Compound Name |
3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-7-methoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C30H22ClN3O4
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| Molecular Weight |
523.976
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| Canonical SMILES |
COc1cccc2c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c([nH]c12)C(O)=O
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| InChI |
InChI=1S/C30H22ClN3O4/c1-38-26-7-3-6-23-24(29(30(36)37)34-28(23)26)14-15-27(35)33-22-5-2-4-18(16-22)8-12-21-13-10-19-9-11-20(31)17-25(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/b12-8+,15-14+
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| InChIKey |
BCDSYHCOCSCCQZ-CCQVQAEASA-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