General Information of the Compound
| Compound ID |
CP0429311
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| Compound Name |
4-[2-(benzenesulfonylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
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| Structure |
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| Formula |
C36H37N3O8S
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| Molecular Weight |
671.772
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| Canonical SMILES |
OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C36H37N3O8S/c40-33(41)18-10-23-39-25-32(36(43)38-48(44,45)29-14-5-2-6-15-29)47-34-30(16-9-17-31(34)39)37-35(42)27-19-21-28(22-20-27)46-24-8-7-13-26-11-3-1-4-12-26/h1-6,9,11-12,14-17,19-22,32H,7-8,10,13,18,23-25H2,(H,37,42)(H,38,43)(H,40,41)
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| InChIKey |
LONMDBXVFTVIML-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