General Information of the Compound
| Compound ID |
CP0116785
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| Compound Name |
(3-((3-methoxyphenyl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C25H23N3O2
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| Molecular Weight |
397.478
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| Canonical SMILES |
COc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C25H23N3O2/c1-30-23-9-5-7-21(19-23)12-11-20-6-4-8-22(18-20)25(29)28-16-14-27(15-17-28)24-10-2-3-13-26-24/h2-10,13,18-19H,14-17H2,1H3
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| InChIKey |
MIDALIZEHITHJZ-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