General Information of the Compound
| Compound ID |
CP0214265
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| Compound Name |
N,N-dimethyl-2-[3-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophen-2-yl]ethanamine
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| Structure |
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| Formula |
C17H20N2S2
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| Molecular Weight |
316.495
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| Canonical SMILES |
CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12
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| InChI |
InChI=1S/C17H20N2S2/c1-12(17-18-9-11-20-17)16-13-6-4-5-7-14(13)21-15(16)8-10-19(2)3/h4-7,9,11-12H,8,10H2,1-3H3
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| InChIKey |
OVTUKEYYZWXZMJ-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