General Information of the Compound
| Compound ID |
CP0550918
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| Compound Name |
(3-phenylphenyl)-(4-pyrimidin-2-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)c1ncccn1)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C21H20N4O/c26-20(19-9-4-8-18(16-19)17-6-2-1-3-7-17)24-12-14-25(15-13-24)21-22-10-5-11-23-21/h1-11,16H,12-15H2
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| InChIKey |
WIYYSXLJXPFEBP-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