General Information of the Compound
| Compound ID |
CP0552948
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| Compound Name |
N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]-2-(4-hydroxyphenyl)acetamide
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| Formula |
C20H18FN5O3S
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| Molecular Weight |
427.461
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| Canonical SMILES |
Oc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
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| InChI |
InChI=1S/C20H18FN5O3S/c21-13-4-7-16-15(11-13)18(29)25(19-23-24-20(30)26(16)19)9-1-8-22-17(28)10-12-2-5-14(27)6-3-12/h2-7,11,27H,1,8-10H2,(H,22,28)(H,24,30)
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| InChIKey |
RAJFIPOIYIBRSD-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