General Information of the Compound
| Compound ID |
CP0509425
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| Compound Name |
N-[1-[3-(4-benzylpiperidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C37H49N3O3S
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| Molecular Weight |
615.884
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| Canonical SMILES |
CCN(C1CCN(CCC(N2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C37H49N3O3S/c1-3-40(37(41)29-31-14-16-35(17-15-31)44(2,42)43)34-20-23-38(24-21-34)25-22-36(33-12-8-5-9-13-33)39-26-18-32(19-27-39)28-30-10-6-4-7-11-30/h4-17,32,34,36H,3,18-29H2,1-2H3
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| InChIKey |
PNYWSRFQQRUDKN-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