General Information of the Compound
| Compound ID |
CP0576520
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| Compound Name |
(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C25H36N6O
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| Molecular Weight |
436.604
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| Canonical SMILES |
CN(Cc1cc(nc(C)n1)N1CCC(CC1)N1CCOCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H36N6O/c1-19-27-21(18-29(2)23-7-3-5-20-6-4-10-26-25(20)23)17-24(28-19)31-11-8-22(9-12-31)30-13-15-32-16-14-30/h4,6,10,17,22-23H,3,5,7-9,11-16,18H2,1-2H3/t23-/m0/s1
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| InChIKey |
KXTGLNYATQXBKQ-QHCPKHFHSA-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