General Information of the Compound
| Compound ID |
CP0417909
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| Compound Name |
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C19H27ClN6O3S
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| Molecular Weight |
454.984
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCCS(=O)(=O)N2CCOCC2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C19H27ClN6O3S/c1-24-5-7-25(8-6-24)19-22-17-3-2-15(20)14-16(17)18(23-19)21-4-13-30(27,28)26-9-11-29-12-10-26/h2-3,14H,4-13H2,1H3,(H,21,22,23)
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| InChIKey |
HBXQVNIVIPIJFF-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