General Information of the Compound
| Compound ID |
CP0556886
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| Compound Name |
US9181219, 2-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
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| Structure |
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| Formula |
C18H17N3OS
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| Molecular Weight |
323.421
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| Canonical SMILES |
Cc1cccc2CCCN(C(=O)CSc3ncccc3C#N)c12
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| InChI |
InChI=1S/C18H17N3OS/c1-13-5-2-6-14-8-4-10-21(17(13)14)16(22)12-23-18-15(11-19)7-3-9-20-18/h2-3,5-7,9H,4,8,10,12H2,1H3
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| InChIKey |
MBJJDANYAMRJKC-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