General Information of the Compound
| Compound ID |
CP0494291
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| Compound Name |
4-(4-carboxybutyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C31H34N2O7
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| Molecular Weight |
546.62
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| Canonical SMILES |
OC(=O)CCCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C31H34N2O7/c34-28(35)14-4-6-19-33-21-27(31(37)38)40-29-25(12-8-13-26(29)33)32-30(36)23-15-17-24(18-16-23)39-20-7-5-11-22-9-2-1-3-10-22/h1-3,8-10,12-13,15-18,27H,4-7,11,14,19-21H2,(H,32,36)(H,34,35)(H,37,38)
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| InChIKey |
SLUKVGDEBHNLTK-UHFFFAOYSA-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