General Information of the Compound
| Compound ID |
CP0223520
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| Compound Name |
(4-methoxy-3-((6-methylpyridin-2-yl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C25H24N4O2
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| Molecular Weight |
412.493
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| Canonical SMILES |
COc1ccc(cc1C#Cc1cccc(C)n1)C(=O)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C25H24N4O2/c1-19-6-5-7-22(27-19)11-9-20-18-21(10-12-23(20)31-2)25(30)29-16-14-28(15-17-29)24-8-3-4-13-26-24/h3-8,10,12-13,18H,14-17H2,1-2H3
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| InChIKey |
CFASCWUCSYDJAJ-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