General Information of the Compound
| Compound ID |
CP0379712
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| Compound Name |
4-(3-carboxypropyl)-8-[[4-(2-phenoxyethoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C28H28N2O8
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| Molecular Weight |
520.538
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| Canonical SMILES |
OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCOc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C28H28N2O8/c31-25(32)10-5-15-30-18-24(28(34)35)38-26-22(8-4-9-23(26)30)29-27(33)19-11-13-21(14-12-19)37-17-16-36-20-6-2-1-3-7-20/h1-4,6-9,11-14,24H,5,10,15-18H2,(H,29,33)(H,31,32)(H,34,35)
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| InChIKey |
AMPOMGVQYYHAGU-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