General Information of the Compound
| Compound ID |
CP0563699
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| Compound Name |
N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]-8-oxo-7H-purin-9-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H28N8O2
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| Molecular Weight |
484.564
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(Nc2ncc3[nH]c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
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| InChI |
InChI=1S/C26H28N8O2/c1-3-23(35)28-19-6-5-7-21(16-19)34-24-22(30-26(34)36)17-27-25(31-24)29-18-8-10-20(11-9-18)33-14-12-32(4-2)13-15-33/h3,5-11,16-17H,1,4,12-15H2,2H3,(H,28,35)(H,30,36)(H,27,29,31)
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| InChIKey |
DAGUTUKQMPCUDA-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