General Information of the Compound
| Compound ID |
CP0102239
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| Compound Name |
5-((1H-benzo[d]imidazol-2-yl)methylthio)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
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| Structure |
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| Formula |
C18H14N6S
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| Molecular Weight |
346.419
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| Canonical SMILES |
Cc1nc2c3ccccc3nc(SCc3nc4ccccc4[nH]3)n2n1
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| InChI |
InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21)
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| InChIKey |
VVYNKZKNFFKZDW-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