General Information of the Compound
Compound ID |
CP0562183
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Compound Name |
(4-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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Structure |
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Formula |
C21H20N4O2
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Molecular Weight |
360.417
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Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(Oc2ccccc2)cc1
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InChI |
InChI=1S/C21H20N4O2/c26-20(24-13-15-25(16-14-24)21-22-11-4-12-23-21)17-7-9-19(10-8-17)27-18-5-2-1-3-6-18/h1-12H,13-16H2
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InChIKey |
GZCVWNCCNSECKL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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