General Information of the Compound
| Compound ID |
CP0399347
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| Compound Name |
3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-4,6-difluoro-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C29H18ClF2N3O3
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| Molecular Weight |
529.93
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(F)cc(F)c2c1\C=C\C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
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| InChI |
InChI=1S/C29H18ClF2N3O3/c30-18-7-5-17-6-9-20(33-24(17)13-18)8-4-16-2-1-3-21(12-16)34-26(36)11-10-22-27-23(32)14-19(31)15-25(27)35-28(22)29(37)38/h1-15,35H,(H,34,36)(H,37,38)/b8-4+,11-10+
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| InChIKey |
ZIRKQJSGWMYLAN-IBYINHFXSA-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