General Information of the Compound
| Compound ID |
CP0379709
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| Compound Name |
4-butanoyl-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C30H32N2O6
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| Molecular Weight |
516.594
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| Canonical SMILES |
CCCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C30H32N2O6/c1-2-9-27(33)32-20-26(30(35)36)38-28-24(13-8-14-25(28)32)31-29(34)22-15-17-23(18-16-22)37-19-7-6-12-21-10-4-3-5-11-21/h3-5,8,10-11,13-18,26H,2,6-7,9,12,19-20H2,1H3,(H,31,34)(H,35,36)
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| InChIKey |
XVRFPOJZAQIRMJ-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