General Information of the Compound
| Compound ID |
CP0258398
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| Compound Name |
5-[[5-chloro-4-[3-(cyanomethyl)phenyl]pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C24H22ClN7
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| Molecular Weight |
443.942
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1C#N
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| InChI |
InChI=1S/C24H22ClN7/c1-31-9-11-32(12-10-31)22-6-5-20(14-19(22)15-27)29-24-28-16-21(25)23(30-24)18-4-2-3-17(13-18)7-8-26/h2-6,13-14,16H,7,9-12H2,1H3,(H,28,29,30)
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| InChIKey |
JTSOHDVEOQCKQO-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