General Information of the Compound
| Compound ID |
CP0285798
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| Compound Name |
2-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)-3-(1,3-oxazol-2-yl)anilino]pyrimidin-4-yl]phenyl]acetonitrile
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| Structure |
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| Formula |
C26H24ClN7O
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| Molecular Weight |
485.979
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1-c1ncco1
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| InChI |
InChI=1S/C26H24ClN7O/c1-33-10-12-34(13-11-33)23-6-5-20(16-21(23)25-29-9-14-35-25)31-26-30-17-22(27)24(32-26)19-4-2-3-18(15-19)7-8-28/h2-6,9,14-17H,7,10-13H2,1H3,(H,30,31,32)
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| InChIKey |
QSXRGEQOCHJNOT-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