General Information of the Compound
| Compound ID |
CP0533968
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| Compound Name |
N-ethyl-N-[[2-methyl-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 |
C22H32N6
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| Molecular Weight |
380.54
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| Canonical SMILES |
CCN(Cc1cc(nc(C)n1)N1CCN(C)CC1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C22H32N6/c1-4-27(20-9-5-7-18-8-6-10-23-22(18)20)16-19-15-21(25-17(2)24-19)28-13-11-26(3)12-14-28/h6,8,10,15,20H,4-5,7,9,11-14,16H2,1-3H3
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| InChIKey |
HQZMUPSYOFJVOG-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