General Information of the Compound
| Compound ID |
CP0455907
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| Compound Name |
4-(3-carboxypropanoyl)-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 |
C30H30N2O8
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| Molecular Weight |
546.576
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| Canonical SMILES |
OC(=O)CCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
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| InChI |
InChI=1S/C30H30N2O8/c33-26(16-17-27(34)35)32-19-25(30(37)38)40-28-23(10-6-11-24(28)32)31-29(36)21-12-14-22(15-13-21)39-18-5-4-9-20-7-2-1-3-8-20/h1-3,6-8,10-15,25H,4-5,9,16-19H2,(H,31,36)(H,34,35)(H,37,38)
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| InChIKey |
XXFIWZPRMVGKBH-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