General Information of the Compound
| Compound ID |
CP0400409
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| Compound Name |
4-(3-carboxypropyl)-8-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C31H33NO7
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| Molecular Weight |
531.605
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| Canonical SMILES |
OC(=O)CCCN1CC(Oc2c(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C31H33NO7/c33-29(34)12-7-19-32-22-28(31(35)36)39-30-24(8-6-11-27(30)32)16-13-23-14-17-26(18-15-23)38-21-5-4-20-37-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,28H,4-5,7,12,19-22H2,(H,33,34)(H,35,36)/b16-13+
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| InChIKey |
KQXMBUWEISAGDL-DTQAZKPQSA-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