General Information of the Compound
| Compound ID |
CP0460924
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| Compound Name |
N,N-dimethyl-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzothiophen-3-yl]ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C25H29F3N2OS
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| Molecular Weight |
462.581
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(cc3)C(F)(F)F)sc3ccccc23)CC1
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| InChI |
InChI=1S/C25H29F3N2OS/c1-29(2)19-11-14-30(15-12-19)16-13-22-21-5-3-4-6-23(21)32-24(22)17-31-20-9-7-18(8-10-20)25(26,27)28/h3-10,19H,11-17H2,1-2H3
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| InChIKey |
UHRYHSTVRPWBMU-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