General Information of the Compound
| Compound ID |
CP0379268
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| Compound Name |
4-[2-(hydroxymethyl)-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 |
C30H34N2O6
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| Molecular Weight |
518.61
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| Canonical SMILES |
OCC1CN(CCCC(O)=O)c2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2O1
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| InChI |
InChI=1S/C30H34N2O6/c33-21-25-20-32(18-7-13-28(34)35)27-12-6-11-26(29(27)38-25)31-30(36)23-14-16-24(17-15-23)37-19-5-4-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-17,25,33H,4-5,7,10,13,18-21H2,(H,31,36)(H,34,35)
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| InChIKey |
NQJREPQHJNEAAW-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