General Information of the Compound
| Compound ID |
CP0185264
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| Compound Name |
1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthalazine
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| Structure |
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| Formula |
C22H20N4
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| Molecular Weight |
340.43
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| Canonical SMILES |
Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
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| InChI |
InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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| InChIKey |
QQJMEMQSYAOKGB-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