General Information of the Compound
| Compound ID |
CP0553118
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| Compound Name |
(8S)-N-methyl-N-[[2-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C23H34N6O
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| Molecular Weight |
410.566
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| Canonical SMILES |
CN(Cc1cc(NCCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C23H34N6O/c1-18-26-20(16-22(27-18)24-10-5-11-29-12-14-30-15-13-29)17-28(2)21-8-3-6-19-7-4-9-25-23(19)21/h4,7,9,16,21H,3,5-6,8,10-15,17H2,1-2H3,(H,24,26,27)/t21-/m0/s1
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| InChIKey |
BKIKXFUYXLJCAG-NRFANRHFSA-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