General Information of the Compound
| Compound ID |
CP0573021
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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-methylpiperazin-1-yl)acetamide
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| Formula |
C19H24FN7O2S
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| Molecular Weight |
433.513
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| Canonical SMILES |
CN1CCN(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)CC1
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| InChI |
InChI=1S/C19H24FN7O2S/c1-24-7-9-25(10-8-24)12-16(28)21-5-2-6-26-17(29)14-11-13(20)3-4-15(14)27-18(26)22-23-19(27)30/h3-4,11H,2,5-10,12H2,1H3,(H,21,28)(H,23,30)
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| InChIKey |
CLIKJUGKPVXNGK-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