General Information of the Compound
| Compound ID |
CP0449677
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| Compound Name |
N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
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| Structure |
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| Formula |
C17H23NOS
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| Molecular Weight |
289.444
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| Canonical SMILES |
O=C(NCCc1cccs1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C17H23NOS/c19-16(18-4-3-15-2-1-5-20-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-14H,3-4,6-11H2,(H,18,19)
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| InChIKey |
AZMIFRWSNALHOG-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