General Information of the Compound
| Compound ID |
CP0496176
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| Compound Name |
((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C26H28N2O2
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| Molecular Weight |
400.522
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| Canonical SMILES |
CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1
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| InChIKey |
RJDWQLQWIGSBFC-MQVPCNEGSA-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