General Information of the Compound
| Compound ID |
CP0518028
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| Compound Name |
[(1R)-2-cyano-1-phenylethyl] 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C28H27BrN2O3
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| Molecular Weight |
519.439
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(Br)c1)C(=O)O[C@H](CC#N)c1ccccc1
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| InChI |
InChI=1S/C28H27BrN2O3/c1-17-24(27(33)34-23(12-13-30)18-8-5-4-6-9-18)25(19-10-7-11-20(29)14-19)26-21(31-17)15-28(2,3)16-22(26)32/h4-11,14,23,25,31H,12,15-16H2,1-3H3/t23-,25?/m1/s1
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| InChIKey |
FJQUGCMBQSPFMK-XQZUBTRRSA-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