General Information of the Compound
| Compound ID |
CP0239747
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| Compound Name |
(3-(phenylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C24H21N3O
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| Molecular Weight |
367.452
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C24H21N3O/c28-24(27-17-15-26(16-18-27)23-11-4-5-14-25-23)22-10-6-9-21(19-22)13-12-20-7-2-1-3-8-20/h1-11,14,19H,15-18H2
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| InChIKey |
KWNYPHGYOPXYPZ-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