General Information of the Compound
| Compound ID |
CP0243914
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| Compound Name |
5-[[5-chloro-4-[3-(cyanomethyl)phenyl]pyrimidin-2-yl]amino]-N-methyl-2-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C25H26ClN7O
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| Molecular Weight |
475.984
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| Canonical SMILES |
CNC(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
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| InChI |
InChI=1S/C25H26ClN7O/c1-28-24(34)20-15-19(6-7-22(20)33-12-10-32(2)11-13-33)30-25-29-16-21(26)23(31-25)18-5-3-4-17(14-18)8-9-27/h3-7,14-16H,8,10-13H2,1-2H3,(H,28,34)(H,29,30,31)
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| InChIKey |
ODDOXBDADZOQGE-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