General Information of the Compound
| Compound ID |
CP0474710
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| Compound Name |
tetrahydroquinolinone, 28
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| Structure |
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| Formula |
C21H20ClN3O2S
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| Molecular Weight |
413.93
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| Canonical SMILES |
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2CCCCc12)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H20ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,24,26)
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| InChIKey |
ZMAYNDYGIXENHY-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