General Information of the Compound
| Compound ID |
CP0404773
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| Compound Name |
N-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C17H13N3O2S
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| Molecular Weight |
323.377
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| Canonical SMILES |
CS(=O)(=O)Nc1ccncc1-c1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C17H13N3O2S/c1-23(21,22)20-17-8-9-19-11-16(17)15-7-6-12(10-18)13-4-2-3-5-14(13)15/h2-9,11H,1H3,(H,19,20)
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| InChIKey |
VUXLTHUBTUFZST-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