General Information of the Compound
| Compound ID |
CP0542854
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| Compound Name |
2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin-6-yl)-1-methyl-1H- pyrazol-5-yl)-6-methylbenzonitrile
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| Structure |
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| Formula |
C21H18N6O
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| Molecular Weight |
370.416
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| Canonical SMILES |
Cc1cccc(-c2c(cnn2C)-c2ccc3c(c2)c(CN)n[nH]c3=O)c1C#N
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| InChI |
InChI=1S/C21H18N6O/c1-12-4-3-5-14(17(12)9-22)20-18(11-24-27(20)2)13-6-7-15-16(8-13)19(10-23)25-26-21(15)28/h3-8,11H,10,23H2,1-2H3,(H,26,28)
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| InChIKey |
FHQQDTPXSJNQCO-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