General Information of the Compound
| Compound ID |
CP0379219
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| Compound Name |
1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methanesulfonyl-benzyl)-urea
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| Structure |
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| Formula |
C31H39N3O3S
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| Molecular Weight |
533.738
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C31H39N3O3S/c1-3-34(31(35)32-24-25-14-16-29(17-15-25)38(2,36)37)28-18-21-33(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3,(H,32,35)
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| InChIKey |
RDGUKBGMEDUEDL-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