General Information of the Compound
| Compound ID |
CP0086262
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| Compound Name |
4-(((2S,4R)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)(phenyl)amino)-4-oxobutanoic acid
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| Structure |
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| Formula |
C27H26N2O4
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| Molecular Weight |
442.515
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| Canonical SMILES |
C[C@H]1C[C@@H](N(C(=O)CCC(O)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H26N2O4/c1-19-18-24(29(21-12-6-3-7-13-21)25(30)16-17-26(31)32)22-14-8-9-15-23(22)28(19)27(33)20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3,(H,31,32)/t19-,24+/m0/s1
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| InChIKey |
SKMCUINBBWXWBC-YADARESESA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2