General Information of the Compound
| Compound ID |
CP0553540
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| Compound Name |
[4-(2-phenylethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H24N4O2
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| Molecular Weight |
388.471
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(OCCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H24N4O2/c28-22(26-14-16-27(17-15-26)23-24-12-4-13-25-23)20-7-9-21(10-8-20)29-18-11-19-5-2-1-3-6-19/h1-10,12-13H,11,14-18H2
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| InChIKey |
HNGOEZIXQROMGA-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