General Information of the Compound
| Compound ID |
CP0493836
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| Compound Name |
3-[(pyridin-2-ylamino)methyl]-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
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| Structure |
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| Formula |
C17H13N5OS
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| Molecular Weight |
335.392
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| Canonical SMILES |
S=c1oc(nn1CNc1ccccn1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C17H13N5OS/c24-17-22(11-19-15-7-3-4-10-18-15)21-16(23-17)14-9-8-12-5-1-2-6-13(12)20-14/h1-10H,11H2,(H,18,19)
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| InChIKey |
WPHCHVCDWOSXJA-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