General Information of the Compound
| Compound ID |
CP0448995
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| Compound Name |
2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
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| Structure |
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| Formula |
C16H18N2S
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| Molecular Weight |
270.401
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| Canonical SMILES |
CC(Cc1ccccc1-c1ccsc1)C1=NCCN1
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| InChI |
InChI=1S/C16H18N2S/c1-12(16-17-7-8-18-16)10-13-4-2-3-5-15(13)14-6-9-19-11-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
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| InChIKey |
RXYLHGFSJJIGGC-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