General Information of the Compound
| Compound ID |
CP0569877
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| Compound Name |
2-[3-(cyclobutylmethyl)-4-oxophthalazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
O=C(Cc1nn(CC2CCC2)c(=O)c2ccccc12)NCc1ccccn1
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| InChI |
InChI=1S/C21H22N4O2/c26-20(23-13-16-8-3-4-11-22-16)12-19-17-9-1-2-10-18(17)21(27)25(24-19)14-15-6-5-7-15/h1-4,8-11,15H,5-7,12-14H2,(H,23,26)
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| InChIKey |
PEGAZEBDOLGIFH-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