General Information of the Compound
| Compound ID |
CP0404475
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| Compound Name |
[3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-benzothiophen-2-yl]methanol
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| Structure |
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| Formula |
C18H26N2OS
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| Molecular Weight |
318.486
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(CO)sc3ccccc23)CC1
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| InChI |
InChI=1S/C18H26N2OS/c1-19(2)14-7-10-20(11-8-14)12-9-16-15-5-3-4-6-17(15)22-18(16)13-21/h3-6,14,21H,7-13H2,1-2H3
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| InChIKey |
CZCXXGGRDZNOIA-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