General Information of the Compound
| Compound ID |
CP0902852
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| Compound Name |
7-Fluoro-4-(trans-2-methylcyclopropyl)-1-thioxo-2,4-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
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| Formula |
C13H11FN4OS
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| Molecular Weight |
290.323
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| Canonical SMILES |
C[C@H]1C[C@@H]1n1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
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| InChI |
InChI=1S/C13H11FN4OS/c1-6-4-10(6)17-11(19)8-5-7(14)2-3-9(8)18-12(17)15-16-13(18)20/h2-3,5-6,10H,4H2,1H3,(H,16,20)/t6-,10-/m0/s1
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| InChIKey |
HJCQGUZQMVXNPT-WKEGUHRASA-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