General Information of the Compound
| Compound ID |
CP0442778
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-5-ethyl-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C28H34BrN3O2S
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| Molecular Weight |
556.57
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| Canonical SMILES |
CCc1ccc2sc(cc2c1)C(=O)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
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| InChI |
InChI=1S/C28H34BrN3O2S/c1-2-19-4-6-26-21(15-19)17-27(35-26)28(33)31-22-9-13-32(14-10-22)18-20-3-5-25(24(29)16-20)34-23-7-11-30-12-8-23/h3-6,15-17,22-23,30H,2,7-14,18H2,1H3,(H,31,33)
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| InChIKey |
IYJOVHCBOXVSOR-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