General Information of the Compound
| Compound ID |
CP0455370
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| Compound Name |
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H34N6O2
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| Molecular Weight |
426.565
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| Canonical SMILES |
COCCNC(=O)c1cnc(nc1NCC(C)C)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H34N6O2/c1-18(2)15-25-21-20(22(30)24-9-14-31-3)16-26-23(27-21)29-12-10-28(11-13-29)17-19-7-5-4-6-8-19/h4-8,16,18H,9-15,17H2,1-3H3,(H,24,30)(H,25,26,27)
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| InChIKey |
NZLJVDWKLQJNNU-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