General Information of the Compound
| Compound ID |
CP0379707
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| Compound Name |
8-[[4-(4-phenylbutoxy)benzoyl]amino]-4-propanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
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| Structure |
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| Formula |
C29H30N2O6
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| Molecular Weight |
502.567
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| Canonical SMILES |
CCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C29H30N2O6/c1-2-26(32)31-19-25(29(34)35)37-27-23(12-8-13-24(27)31)30-28(33)21-14-16-22(17-15-21)36-18-7-6-11-20-9-4-3-5-10-20/h3-5,8-10,12-17,25H,2,6-7,11,18-19H2,1H3,(H,30,33)(H,34,35)
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| InChIKey |
PFNRBMQQVYAWLP-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