General Information of the Compound
| Compound ID |
CP0214316
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| Compound Name |
(3-((3-aminophenyl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C24H22N4O
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| Molecular Weight |
382.467
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| Canonical SMILES |
Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C24H22N4O/c25-22-8-4-6-20(18-22)11-10-19-5-3-7-21(17-19)24(29)28-15-13-27(14-16-28)23-9-1-2-12-26-23/h1-9,12,17-18H,13-16,25H2
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| InChIKey |
CBLQQYHSQLWVKU-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