General Information of the Compound
| Compound ID |
CP0575516
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| Compound Name |
2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin-6-yl)-1-methyl-1H- pyrazol-5-yl)-6-ethylbenzonitrile
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| Structure |
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| Formula |
C22H20N6O
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| Molecular Weight |
384.443
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| Canonical SMILES |
CCc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N
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| InChI |
InChI=1S/C22H20N6O/c1-3-13-5-4-6-15(18(13)10-23)21-19(12-25-28(21)2)14-7-8-16-17(9-14)20(11-24)26-27-22(16)29/h4-9,12H,3,11,24H2,1-2H3,(H,27,29)
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| InChIKey |
JSTARMSLOBXCAC-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