General Information of the Compound
| Compound ID |
CP0579147
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| Compound Name |
2-[4-[4-(aminomethyl)-8-ethoxy-1-oxo-2H-phthalazin-6-yl]-2-methylpyrazol-3-yl]-1-benzothiophene-3-carbonitrile
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| Structure |
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| Formula |
C24H20N6O2S
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| Molecular Weight |
456.531
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| Canonical SMILES |
CCOc1cc(cc2c(CN)n[nH]c(=O)c12)-c1cnn(C)c1-c1sc2ccccc2c1C#N
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| InChI |
InChI=1S/C24H20N6O2S/c1-3-32-19-9-13(8-15-18(11-26)28-29-24(31)21(15)19)17-12-27-30(2)22(17)23-16(10-25)14-6-4-5-7-20(14)33-23/h4-9,12H,3,11,26H2,1-2H3,(H,29,31)
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| InChIKey |
QITQEGZWQYEIGT-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