General Information of the Compound
| Compound ID |
CP0464632
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| Compound Name |
3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea
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| Structure |
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| Formula |
C29H35N3O
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| Molecular Weight |
441.619
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| Canonical SMILES |
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C29H35N3O/c1-31(29(33)30-23-24-11-5-2-6-12-24)27-17-20-32(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3,(H,30,33)
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| InChIKey |
ISIRALASUBYCGQ-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