General Information of the Compound
| Compound ID |
CP0578829
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| Compound Name |
N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C24H32N8
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| Molecular Weight |
432.576
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| Canonical SMILES |
CN(Cc1cc(nc(n1)-c1cnn(C)c1)N1CCN(C)CC1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C24H32N8/c1-29-10-12-32(13-11-29)22-14-20(27-24(28-22)19-15-26-31(3)16-19)17-30(2)21-8-4-6-18-7-5-9-25-23(18)21/h5,7,9,14-16,21H,4,6,8,10-13,17H2,1-3H3
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| InChIKey |
MPANCIFVAOMEHK-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