General Information of the Compound
| Compound ID |
CP0447691
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| Compound Name |
[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl (E)-3-(4,6-dichloro-1H-indol-3-yl)prop-2-enoate
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| Structure |
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| Formula |
C29H19Cl3N2O2
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| Molecular Weight |
533.842
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| Canonical SMILES |
Clc1ccc2ccc(\C=C\c3cccc(COC(=O)\C=C\c4c[nH]c5cc(Cl)cc(Cl)c45)c3)nc2c1
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| InChI |
InChI=1S/C29H19Cl3N2O2/c30-22-8-5-20-6-10-24(34-26(20)14-22)9-4-18-2-1-3-19(12-18)17-36-28(35)11-7-21-16-33-27-15-23(31)13-25(32)29(21)27/h1-16,33H,17H2/b9-4+,11-7+
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| InChIKey |
HFXNFYJSMCRIAG-BFFNUNQPSA-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