General Information of the Compound
| Compound ID |
CP0388128
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| Compound Name |
4-[(2-nitrophenyl)methyl]-2H-phthalazin-1-one
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| Structure |
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| Formula |
C15H11N3O3
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| Molecular Weight |
281.271
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
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| InChI |
InChI=1S/C15H11N3O3/c19-15-12-7-3-2-6-11(12)13(16-17-15)9-10-5-1-4-8-14(10)18(20)21/h1-8H,9H2,(H,17,19)
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| InChIKey |
DUPQULMXUXUNRR-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