General Information of the Compound
| Compound ID |
CP0461120
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| Compound Name |
3-[(N-methylanilino)methyl]-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
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| Structure |
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| Formula |
C19H16N4OS
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| Molecular Weight |
348.431
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| Canonical SMILES |
CN(Cn1nc(oc1=S)-c1ccc2ccccc2n1)c1ccccc1
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| InChI |
InChI=1S/C19H16N4OS/c1-22(15-8-3-2-4-9-15)13-23-19(25)24-18(21-23)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,13H2,1H3
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| InChIKey |
AQEIYJWEKUJFNJ-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