General Information of the Compound
| Compound ID |
CP0533289
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| Compound Name |
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]propanamide
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| Formula |
C21H29FN6O5S
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| Molecular Weight |
496.565
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| Canonical SMILES |
NCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
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| InChI |
InChI=1S/C21H29FN6O5S/c22-15-2-3-17-16(14-15)19(30)27(20-25-26-21(34)28(17)20)7-1-6-24-18(29)4-8-31-10-12-33-13-11-32-9-5-23/h2-3,14H,1,4-13,23H2,(H,24,29)(H,26,34)
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| InChIKey |
OAUOUODYDIVWSJ-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