General Information of the Compound
| Compound ID |
CP0533290
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| Compound Name |
6-amino-N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]hexanamide
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| Formula |
C18H23FN6O2S
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| Molecular Weight |
406.487
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| Canonical SMILES |
NCCCCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C18H23FN6O2S/c19-12-6-7-14-13(11-12)16(27)24(17-22-23-18(28)25(14)17)10-4-9-21-15(26)5-2-1-3-8-20/h6-7,11H,1-5,8-10,20H2,(H,21,26)(H,23,28)
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| InChIKey |
NPRUYNMTXRGZCY-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