General Information of the Compound
| Compound ID |
CP0080353
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| Compound Name |
1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazine
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| Structure |
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| Formula |
C21H18N4O
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| Molecular Weight |
342.402
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| Canonical SMILES |
COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
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| InChI |
InChI=1S/C21H18N4O/c1-26-17-6-4-5-16(14-17)23-21-19-8-3-2-7-18(19)20(24-25-21)13-15-9-11-22-12-10-15/h2-12,14H,13H2,1H3,(H,23,25)
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| InChIKey |
UHSUYVQDJJMDAA-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