General Information of the Compound
| Compound ID |
CP0498608
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| Compound Name |
4-(3-carboxypropyl)-8-[[4-(3-phenylpropoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C29H30N2O7
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| Molecular Weight |
518.566
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| Canonical SMILES |
OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C29H30N2O7/c32-26(33)12-5-17-31-19-25(29(35)36)38-27-23(10-4-11-24(27)31)30-28(34)21-13-15-22(16-14-21)37-18-6-9-20-7-2-1-3-8-20/h1-4,7-8,10-11,13-16,25H,5-6,9,12,17-19H2,(H,30,34)(H,32,33)(H,35,36)
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| InChIKey |
DOZMGZVZFNWUJS-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