General Information of the Compound
| Compound ID |
CP0165903
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| Compound Name |
2-[3-(1-imidazol-1-ylethyl)-1-benzothiophen-2-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C17H21N3S
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| Molecular Weight |
299.443
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| Canonical SMILES |
CC(c1c(CCN(C)C)sc2ccccc12)n1ccnc1
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| InChI |
InChI=1S/C17H21N3S/c1-13(20-11-9-18-12-20)17-14-6-4-5-7-15(14)21-16(17)8-10-19(2)3/h4-7,9,11-13H,8,10H2,1-3H3
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| InChIKey |
MSPFRPWEGPBFTC-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