General Information of the Compound
| Compound ID |
CP0489186
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| Compound Name |
8-[[4-(4-phenylbutoxy)benzoyl]amino]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C26H26N2O5
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| Molecular Weight |
446.503
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| Canonical SMILES |
OC(=O)C1CNc2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2O1
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| InChI |
InChI=1S/C26H26N2O5/c29-25(28-22-11-6-10-21-24(22)33-23(17-27-21)26(30)31)19-12-14-20(15-13-19)32-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,23,27H,4-5,9,16-17H2,(H,28,29)(H,30,31)
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| InChIKey |
YJUXNXKALPZZEU-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