General Information of the Compound
| Compound ID |
CP0075215
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| Compound Name |
2-[3-[5-chloro-2-[3-hydroxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetonitrile
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| Structure |
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| Formula |
C23H23ClN6O
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| Molecular Weight |
434.931
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1O
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| InChI |
InChI=1S/C23H23ClN6O/c1-29-9-11-30(12-10-29)20-6-5-18(14-21(20)31)27-23-26-15-19(24)22(28-23)17-4-2-3-16(13-17)7-8-25/h2-6,13-15,31H,7,9-12H2,1H3,(H,26,27,28)
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| InChIKey |
WNJHVJCQNWZLPX-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