General Information of the Compound
| Compound ID |
CP0116784
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| Compound Name |
(4-(pyridin-2-yl)piperazin-1-yl)(3-(p-tolylethynyl)phenyl)methanone
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| Structure |
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| Formula |
C25H23N3O
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| Molecular Weight |
381.479
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| Canonical SMILES |
Cc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C25H23N3O/c1-20-8-10-21(11-9-20)12-13-22-5-4-6-23(19-22)25(29)28-17-15-27(16-18-28)24-7-2-3-14-26-24/h2-11,14,19H,15-18H2,1H3
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| InChIKey |
QYACSSZGOLMJTL-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