General Information of the Compound
| Compound ID |
CP0538105
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| Compound Name |
2-cyclohexyl-7-[3-(dimethylamino)prop-1-ynyl]-6-ethoxy-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C29H43N5O
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| Molecular Weight |
477.697
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| Canonical SMILES |
CCOc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN(C)C)C1CCCCC1
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| InChI |
InChI=1S/C29H43N5O/c1-6-35-27-20-25-26(19-23(27)13-10-16-33(4)5)31-28(22-11-8-7-9-12-22)32-29(25)30-24-14-17-34(18-15-24)21(2)3/h19-22,24H,6-9,11-12,14-18H2,1-5H3,(H,30,31,32)
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| InChIKey |
YYPYDJXRNMZODJ-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