General Information of the Compound
| Compound ID |
CP0381991
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| Compound Name |
(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
O=C(N1CCN(CC1)c1cccnn1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H20N4O/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)25-15-13-24(14-16-25)20-7-4-12-22-23-20/h1-12H,13-16H2
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| InChIKey |
HXWQWMSVEYXDEN-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