General Information of the Compound
| Compound ID |
CP0492138
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| Compound Name |
tert-butyl 4-[2-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)ethyl]piperazine-1-carboxylate
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| Formula |
C20H25FN6O3S
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| Molecular Weight |
448.524
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)CC1
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| InChI |
InChI=1S/C20H25FN6O3S/c1-20(2,3)30-19(29)25-9-6-24(7-10-25)8-11-26-16(28)14-12-13(21)4-5-15(14)27-17(26)22-23-18(27)31/h4-5,12H,6-11H2,1-3H3,(H,23,31)
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| InChIKey |
BPUVBJZPYYTFDJ-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