General Information of the Compound
| Compound ID |
CP0463961
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| Compound Name |
1-[4-[(4-anilinoquinazolin-2-yl)amino]phenyl]-N,N-dimethylmethanesulfonamide
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| Structure |
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| Formula |
C23H23N5O2S
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| Molecular Weight |
433.537
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| Canonical SMILES |
CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
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| InChI |
InChI=1S/C23H23N5O2S/c1-28(2)31(29,30)16-17-12-14-19(15-13-17)25-23-26-21-11-7-6-10-20(21)22(27-23)24-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H2,24,25,26,27)
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| InChIKey |
UTIXWCYZIWQAAW-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