General Information of the Compound
| Compound ID |
CP0568725
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| Compound Name |
N-(2,2-dimethylpropyl)-2,6-dimethyl-N-[[4-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]phenyl]methyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C28H41N5
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| Molecular Weight |
447.671
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| Canonical SMILES |
CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3cc(C)nc(C)n3)cc2)CC1
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| InChI |
InChI=1S/C28H41N5/c1-22(2)32-17-15-31(16-18-32)14-8-9-25-10-12-26(13-11-25)20-33(21-28(5,6)7)27-19-23(3)29-24(4)30-27/h10-13,19,22H,14-18,20-21H2,1-7H3
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| InChIKey |
XUCKBWXIPGEUFD-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