General Information of the Compound
| Compound ID |
CP0475644
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| Compound Name |
2-(4-chlorophenoxy)-N-[4-methyl-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C22H24ClN5O4S
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| Molecular Weight |
489.985
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H24ClN5O4S/c1-15-19-13-17(25-21(29)14-32-18-6-3-16(23)4-7-18)5-8-20(19)26-22(24-15)27-9-11-28(12-10-27)33(2,30)31/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)
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| InChIKey |
CXCWGEQMQXGNLO-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