General Information of the Compound
| Compound ID |
CP0557887
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| Compound Name |
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H32N6O
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| Molecular Weight |
384.528
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| Canonical SMILES |
COc1ccc2nc(nc(NC3CCN(C)CC3)c2c1)N1CCCN(C)CC1
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| InChI |
InChI=1S/C21H32N6O/c1-25-9-4-10-27(14-13-25)21-23-19-6-5-17(28-3)15-18(19)20(24-21)22-16-7-11-26(2)12-8-16/h5-6,15-16H,4,7-14H2,1-3H3,(H,22,23,24)
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| InChIKey |
QEYKCGZYSPBLEO-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