General Information of the Compound
| Compound ID |
CP0562165
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| Compound Name |
phenyl-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
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| Structure |
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C22H20N4O2/c27-20(17-5-2-1-3-6-17)18-7-9-19(10-8-18)21(28)25-13-15-26(16-14-25)22-23-11-4-12-24-22/h1-12H,13-16H2
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| InChIKey |
XSVCSTWGLNNVQX-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