General Information of the Compound
| Compound ID |
CP0556553
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| Compound Name |
N-methyl-3-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C24H28F3N5O5S
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| Molecular Weight |
555.579
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)c1
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| InChI |
InChI=1S/C24H28F3N5O5S/c1-28-38(33,34)18-4-6-22(37-15-24(25,26)27)21(14-18)31-23-19-5-3-17(13-20(19)29-16-30-23)36-10-2-7-32-8-11-35-12-9-32/h3-6,13-14,16,28H,2,7-12,15H2,1H3,(H,29,30,31)
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| InChIKey |
BCPFKHJCHDHGPM-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