General Information of the Compound
| Compound ID |
CP0392112
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| Compound Name |
5-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C27H28ClN3
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| Molecular Weight |
429.995
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H28ClN3/c28-25-12-14-26(15-13-25)31-20-18-30(19-21-31)17-7-16-27(22-29,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2
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| InChIKey |
VPNIQTLKZFUCQM-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