General Information of the Compound
| Compound ID |
CP0941294
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| Compound Name |
rac-4-(1-(Dimethylamino)propan-2-yl)-7-fluoro-1-thioxo-2,4-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
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| Formula |
C14H16FN5OS
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| Molecular Weight |
321.381
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| Canonical SMILES |
CC(CN(C)C)n1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C14H16FN5OS/c1-8(7-18(2)3)19-12(21)10-6-9(15)4-5-11(10)20-13(19)16-17-14(20)22/h4-6,8H,7H2,1-3H3,(H,17,22)
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| InChIKey |
IOLABLVENJUGHC-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