General Information of the Compound
| Compound ID |
CP0541937
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| Compound Name |
1-[2-[2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-benzothiophen-3-yl]ethyl]-N,N-dimethylpiperidin-4-amine
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| Structure |
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| Formula |
C26H32Cl2N2OS
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| Molecular Weight |
491.528
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(sc3ccccc23)C(C)(C)Oc2ccc(Cl)cc2Cl)CC1
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| InChI |
InChI=1S/C26H32Cl2N2OS/c1-26(2,31-23-10-9-18(27)17-22(23)28)25-21(20-7-5-6-8-24(20)32-25)13-16-30-14-11-19(12-15-30)29(3)4/h5-10,17,19H,11-16H2,1-4H3
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| InChIKey |
QDZPKOVOEQFXFD-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