General Information of the Compound
| Compound ID |
CP0552944
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| Compound Name |
4-[2-(dimethylamino)ethyl]-7-fluoro-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C13H14FN5OS
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| Molecular Weight |
307.354
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| Canonical SMILES |
CN(C)CCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C13H14FN5OS/c1-17(2)5-6-18-11(20)9-7-8(14)3-4-10(9)19-12(18)15-16-13(19)21/h3-4,7H,5-6H2,1-2H3,(H,16,21)
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| InChIKey |
ITFZJFPHTIDQPE-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