General Information of the Compound
| Compound ID |
CP0550405
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| Compound Name |
2-[4-[4-(aminomethyl)-8-hydroxy-1-oxo-2H-phthalazin-6-yl]-2-methylpyrazol-3-yl]-1-benzothiophene-3-carbonitrile
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| Structure |
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| Formula |
C22H16N6O2S
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| Molecular Weight |
428.477
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| Canonical SMILES |
Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1cc(O)c2c(c1)c(CN)n[nH]c2=O
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| InChI |
InChI=1S/C22H16N6O2S/c1-28-20(21-14(8-23)12-4-2-3-5-18(12)31-21)15(10-25-28)11-6-13-16(9-24)26-27-22(30)19(13)17(29)7-11/h2-7,10,29H,9,24H2,1H3,(H,27,30)
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| InChIKey |
PLZRUVNQWKQPGX-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