General Information of the Compound
| Compound ID |
CP0281535
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| Compound Name |
(4-methoxy-3-(phenylethynyl)phenyl)(4-(pyrimidin-4-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C24H22N4O2
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| Molecular Weight |
398.466
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| Canonical SMILES |
COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncn1
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| InChI |
InChI=1S/C24H22N4O2/c1-30-22-10-9-21(17-20(22)8-7-19-5-3-2-4-6-19)24(29)28-15-13-27(14-16-28)23-11-12-25-18-26-23/h2-6,9-12,17-18H,13-16H2,1H3
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| InChIKey |
ZTUZNTGLBQIDLC-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