General Information of the Compound
| Compound ID |
CP0552601
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| Compound Name |
4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Structure |
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| Formula |
C14H16N4OS
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| Molecular Weight |
288.376
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| Canonical SMILES |
CC(C)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C14H16N4OS/c1-9(2)7-8-17-12(19)10-5-3-4-6-11(10)18-13(17)15-16-14(18)20/h3-6,9H,7-8H2,1-2H3,(H,16,20)
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| InChIKey |
CDNKKHCCJLPULM-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