General Information of the Compound
| Compound ID |
CP0941390
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| Compound Name |
(E)-2-fluoro-5-(2-methoxy-6-(4-methoxyphenethylamino)pyrimidin-4-yl)benzaldehyde oxime
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| Structure |
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| Formula |
C21H21FN4O3
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| Molecular Weight |
396.422
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| Canonical SMILES |
COc1ccc(CCNc2cc(-c3ccc(F)c(/C=N/O)c3)nc(OC)n2)cc1
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| InChI |
InChI=1S/C21H21FN4O3/c1-28-17-6-3-14(4-7-17)9-10-23-20-12-19(25-21(26-20)29-2)15-5-8-18(22)16(11-15)13-24-27/h3-8,11-13,27H,9-10H2,1-2H3,(H,23,25,26)/b24-13+
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| InChIKey |
PZWGBZLUHRRULA-ZMOGYAJESA-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