General Information of the Compound
| Compound ID |
CP0533287
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| Compound Name |
4-(3-aminopropyl)-9-fluoro-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C12H12FN5OS
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| Molecular Weight |
293.327
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| Canonical SMILES |
NCCCn1c2n[nH]c(=S)n2c2c(F)cccc2c1=O
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| InChI |
InChI=1S/C12H12FN5OS/c13-8-4-1-3-7-9(8)18-11(15-16-12(18)20)17(10(7)19)6-2-5-14/h1,3-4H,2,5-6,14H2,(H,16,20)
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| InChIKey |
KJVKMIZOPMZUQR-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