General Information of the Compound
| Compound ID |
CP0277858
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| Compound Name |
2-[4-(4-Benzhydryl-phenyl)-piperazin-1-yl]-N-m-tolyl-acetamide
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| Structure |
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| Formula |
C32H33N3O
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| Molecular Weight |
475.636
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| Canonical SMILES |
Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C32H33N3O/c1-25-9-8-14-29(23-25)33-31(36)24-34-19-21-35(22-20-34)30-17-15-28(16-18-30)32(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-18,23,32H,19-22,24H2,1H3,(H,33,36)
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| InChIKey |
NZNYRZNCHUMSCE-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