General Information of the Compound
| Compound ID |
CP0531334
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| Compound Name |
2-[methyl-[4-(4-methylpiperazin-1-yl)-6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-2-yl]amino]ethanol
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| Structure |
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| Formula |
C23H35N7O
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| Molecular Weight |
425.581
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| Canonical SMILES |
CN(Cc1cc(nc(n1)N(C)CCO)N1CCN(C)CC1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C23H35N7O/c1-27-10-12-30(13-11-27)21-16-19(25-23(26-21)28(2)14-15-31)17-29(3)20-8-4-6-18-7-5-9-24-22(18)20/h5,7,9,16,20,31H,4,6,8,10-15,17H2,1-3H3
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| InChIKey |
CXVNZPRJJUBDNI-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