General Information of the Compound
| Compound ID |
CP0186433
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| Compound Name |
4-[2-[4-[2-(4-cyanophenyl)ethyl]piperazin-1-yl]ethyl]benzonitrile
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| Structure |
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| Formula |
C22H24N4
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| Molecular Weight |
344.462
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| Canonical SMILES |
N#Cc1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1
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| InChI |
InChI=1S/C22H24N4/c23-17-21-5-1-19(2-6-21)9-11-25-13-15-26(16-14-25)12-10-20-3-7-22(18-24)8-4-20/h1-8H,9-16H2
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| InChIKey |
UMQXZSKUBTWYIX-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