General Information of the Compound
Compound ID |
CP0467913
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Compound Name |
2-cyclohexyl-7-N-[2-(dimethylamino)ethyl]-6-methoxy-4-N-(1-propan-2-ylpiperidin-4-yl)quinazoline-4,7-diamine
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Structure |
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Formula |
C27H44N6O
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Molecular Weight |
468.69
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Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1NCCN(C)C)C1CCCCC1
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InChI |
InChI=1S/C27H44N6O/c1-19(2)33-14-11-21(12-15-33)29-27-22-17-25(34-5)24(28-13-16-32(3)4)18-23(22)30-26(31-27)20-9-7-6-8-10-20/h17-21,28H,6-16H2,1-5H3,(H,29,30,31)
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InChIKey |
SQELADKJRAEXMJ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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