General Information of the Compound
| Compound ID |
CP0502932
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| Compound Name |
2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N,N-dimethylethanesulfonamide
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| Structure |
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| Formula |
C17H25ClN6O2S
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| Molecular Weight |
412.947
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| Canonical SMILES |
CN(C)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C17H25ClN6O2S/c1-22(2)27(25,26)11-6-19-16-14-12-13(18)4-5-15(14)20-17(21-16)24-9-7-23(3)8-10-24/h4-5,12H,6-11H2,1-3H3,(H,19,20,21)
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| InChIKey |
JEJXZYTVVSLHRR-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