General Information of the Compound
| Compound ID |
CP0531335
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| Compound Name |
N-methyl-N-[[2-(methylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C21H31N7
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| Molecular Weight |
381.528
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| Canonical SMILES |
CNc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H31N7/c1-22-21-24-17(14-19(25-21)28-12-10-26(2)11-13-28)15-27(3)18-8-4-6-16-7-5-9-23-20(16)18/h5,7,9,14,18H,4,6,8,10-13,15H2,1-3H3,(H,22,24,25)
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| InChIKey |
VPTBGXKTPWWLAX-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