General Information of the Compound
| Compound ID |
CP0393536
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| Compound Name |
1-(3,5-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
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| Structure |
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| Formula |
C25H28N2
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| Molecular Weight |
356.513
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| Canonical SMILES |
Cc1cc(C)cc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H28N2/c1-20-16-21(2)18-24(17-20)27-14-12-26(13-15-27)19-23-10-6-7-11-25(23)22-8-4-3-5-9-22/h3-11,16-18H,12-15,19H2,1-2H3
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| InChIKey |
RTRAQWFTPPYWRI-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