General Information of the Compound
| Compound ID |
CP0241043
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| Compound Name |
2-[3-[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-2-methylpropanenitrile
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| Structure |
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| Formula |
C26H29ClN6O
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| Molecular Weight |
477.012
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| Canonical SMILES |
COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(c2)C(C)(C)C#N)ccc1N1CCN(C)CC1
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| InChI |
InChI=1S/C26H29ClN6O/c1-26(2,17-28)19-7-5-6-18(14-19)24-21(27)16-29-25(31-24)30-20-8-9-22(23(15-20)34-4)33-12-10-32(3)11-13-33/h5-9,14-16H,10-13H2,1-4H3,(H,29,30,31)
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| InChIKey |
JDOMJOMBOYZLKG-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