General Information of the Compound
| Compound ID |
CP0535091
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| Compound Name |
7-chloro-1-sulfanylidene-4-(3,3,3-trifluoropropyl)-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C12H8ClF3N4OS
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| Molecular Weight |
348.737
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| Canonical SMILES |
FC(F)(F)CCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
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| InChI |
InChI=1S/C12H8ClF3N4OS/c13-6-1-2-8-7(5-6)9(21)19(4-3-12(14,15)16)10-17-18-11(22)20(8)10/h1-2,5H,3-4H2,(H,18,22)
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| InChIKey |
FRGSZPKQZLHMCL-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