General Information of the Compound
| Compound ID |
CP0455909
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| Compound Name |
4-acetyl-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 |
C28H28N2O6
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| Molecular Weight |
488.54
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| Canonical SMILES |
CC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C28H28N2O6/c1-19(31)30-18-25(28(33)34)36-26-23(11-7-12-24(26)30)29-27(32)21-13-15-22(16-14-21)35-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-16,25H,5-6,10,17-18H2,1H3,(H,29,32)(H,33,34)
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| InChIKey |
IMSUYCTYIZAUQJ-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