General Information of the Compound
| Compound ID |
CP0436181
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| Compound Name |
N-[4-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]phenyl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C36H47N3O4S
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| Molecular Weight |
617.856
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C36H47N3O4S/c1-6-39(34(40)26-27-12-18-32(19-13-27)44(5,42)43)31-20-23-38(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)37-35(41)36(2,3)4/h7-19,31,33H,6,20-26H2,1-5H3,(H,37,41)
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| InChIKey |
QKNIXSWGUKMPBD-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