General Information of the Compound
| Compound ID |
CP0382917
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| Compound Name |
ethyl 2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]acetate
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| Structure |
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| Formula |
C17H22ClN5O2
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| Molecular Weight |
363.849
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| Canonical SMILES |
CCOC(=O)CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C17H22ClN5O2/c1-3-25-15(24)11-19-16-13-10-12(18)4-5-14(13)20-17(21-16)23-8-6-22(2)7-9-23/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20,21)
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| InChIKey |
KZOYWPDAGQIBCG-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