General Information of the Compound
| Compound ID |
CP0535092
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| Compound Name |
7-fluoro-4-(3-hydroxypropyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C12H11FN4O2S
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| Molecular Weight |
294.311
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| Canonical SMILES |
OCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C12H11FN4O2S/c13-7-2-3-9-8(6-7)10(19)16(4-1-5-18)11-14-15-12(20)17(9)11/h2-3,6,18H,1,4-5H2,(H,15,20)
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| InChIKey |
BKPWWWIXOIQUCN-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