General Information of the Compound
| Compound ID |
CP0281536
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| Compound Name |
(3-(3-phenylprop-1-ynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)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 |
O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1
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| InChI |
InChI=1S/C25H23N3O/c29-25(28-18-16-27(17-19-28)24-14-4-5-15-26-24)23-13-7-12-22(20-23)11-6-10-21-8-2-1-3-9-21/h1-5,7-9,12-15,20H,10,16-19H2
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| InChIKey |
JYRNMJXVVCDCKZ-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