General Information of the Compound
| Compound ID |
CP0451859
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| Compound Name |
4-(dimethylamino)-3-[[7-(3-methoxypropoxy)quinazolin-4-yl]amino]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H27N5O4S
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| Molecular Weight |
445.545
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCOC)ccc23)c1
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| InChI |
InChI=1S/C21H27N5O4S/c1-22-31(27,28)16-7-9-20(26(2)3)19(13-16)25-21-17-8-6-15(30-11-5-10-29-4)12-18(17)23-14-24-21/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,23,24,25)
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| InChIKey |
BWIUPWHYSIZHBS-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