General Information of the Compound
| Compound ID |
CP0379636
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| Compound Name |
N-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C20H21FN4O
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| Molecular Weight |
352.413
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H21FN4O/c21-18-5-3-17(4-6-18)20(26)23-9-10-24-11-13-25(14-12-24)19-7-1-16(15-22)2-8-19/h1-8H,9-14H2,(H,23,26)
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| InChIKey |
SEMQFIQYEGHERX-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