General Information of the Compound
| Compound ID |
CP0531333
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| Compound Name |
N-[[2-(ethylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C22H33N7
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| Molecular Weight |
395.555
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| Canonical SMILES |
CCNc1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H33N7/c1-4-23-22-25-18(15-20(26-22)29-13-11-27(2)12-14-29)16-28(3)19-9-5-7-17-8-6-10-24-21(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3,(H,23,25,26)
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| InChIKey |
SCGJNQQDLWWGHQ-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