General Information of the Compound
| Compound ID |
CP0467928
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| Compound Name |
7-(3-aminoprop-1-ynyl)-2-cyclohexyl-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C25H34FN5
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| Molecular Weight |
423.58
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| Canonical SMILES |
CC(C)N1CCC(CC1)Nc1nc(nc2cc(C#CCN)c(F)cc12)C1CCCCC1
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| InChI |
InChI=1S/C25H34FN5/c1-17(2)31-13-10-20(11-14-31)28-25-21-16-22(26)19(9-6-12-27)15-23(21)29-24(30-25)18-7-4-3-5-8-18/h15-18,20H,3-5,7-8,10-14,27H2,1-2H3,(H,28,29,30)
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| InChIKey |
BZHUDBDRJPBMIQ-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