General Information of the Compound
| Compound ID |
CP0417908
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| Compound Name |
6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]quinazolin-4-amine
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| Structure |
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| Formula |
C21H31ClN6O2S
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| Molecular Weight |
467.039
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| Canonical SMILES |
CC1CCCCN1S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H31ClN6O2S/c1-16-5-3-4-9-28(16)31(29,30)14-8-23-20-18-15-17(22)6-7-19(18)24-21(25-20)27-12-10-26(2)11-13-27/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,23,24,25)
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| InChIKey |
BCYXGFUHEVHSPR-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