General Information of the Compound
| Compound ID |
CP0414693
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| Compound Name |
4,6-dichloro-3-[(E)-3-(4-cyanobutoxy)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C17H14Cl2N2O4
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| Molecular Weight |
381.215
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCCCCC#N
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| InChI |
InChI=1S/C17H14Cl2N2O4/c18-10-8-12(19)15-11(16(17(23)24)21-13(15)9-10)4-5-14(22)25-7-3-1-2-6-20/h4-5,8-9,21H,1-3,7H2,(H,23,24)/b5-4+
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| InChIKey |
XNBLQIKDMMXWCL-SNAWJCMRSA-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