General Information of the Compound
Compound ID |
CP0490074
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Compound Name |
US9315498, 97
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Structure |
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Formula |
C18H16N2O
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Molecular Weight |
276.339
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Canonical SMILES |
CC1(C)CN(C1=O)c1ccc(cn1)C#Cc1ccccc1
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InChI |
InChI=1S/C18H16N2O/c1-18(2)13-20(17(18)21)16-11-10-15(12-19-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,13H2,1-2H3
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InChIKey |
RRLQBWPEQZJIGH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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