General Information of the Compound
| Compound ID |
CP0374740
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| Compound Name |
5-(4-Benzyl-piperazin-1-yl)-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C28H31N3
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| Molecular Weight |
409.577
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| Canonical SMILES |
N#CC(CCCN1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H31N3/c29-24-28(26-13-6-2-7-14-26,27-15-8-3-9-16-27)17-10-18-30-19-21-31(22-20-30)23-25-11-4-1-5-12-25/h1-9,11-16H,10,17-23H2
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| InChIKey |
DIMUJAOXZJEAPD-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3