General Information of the Compound
| Compound ID |
CP0557203
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| Compound Name |
N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H32N6
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| Molecular Weight |
428.584
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| Canonical SMILES |
CN(Cc1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C26H32N6/c1-30-14-16-32(17-15-30)24-18-22(28-26(29-24)21-8-4-3-5-9-21)19-31(2)23-12-6-10-20-11-7-13-27-25(20)23/h3-5,7-9,11,13,18,23H,6,10,12,14-17,19H2,1-2H3
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| InChIKey |
BMXZVGIKTAXJAW-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