General Information of the Compound
| Compound ID |
CP0522554
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| Compound Name |
1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(3-methyl-benzyl)-urea
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| Structure |
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| Formula |
C31H39N3O
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| Molecular Weight |
469.673
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1cccc(C)c1
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| InChI |
InChI=1S/C31H39N3O/c1-3-34(31(35)32-24-26-12-10-11-25(2)23-26)29-17-20-33(21-18-29)22-19-30(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,23,29-30H,3,17-22,24H2,1-2H3,(H,32,35)
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| InChIKey |
DUZJAHDJMLCDSP-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