General Information of the Compound
| Compound ID |
CP0273840
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| Compound Name |
7-benzyl-1-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H20ClN3OS
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| Molecular Weight |
421.953
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| Canonical SMILES |
Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCN(Cc3ccccc3)Cc12
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| InChI |
InChI=1S/C23H20ClN3OS/c24-21-9-5-4-8-17(21)15-29-23-20-14-27(13-16-6-2-1-3-7-16)11-10-18(20)19(12-25)22(28)26-23/h1-9H,10-11,13-15H2,(H,26,28)
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| InChIKey |
KHGYQLOWLLXUBQ-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