General Information of the Compound
| Compound ID |
CP0453917
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| Compound Name |
2-(1-adamantyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
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| Structure |
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| Formula |
C18H25NOS
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| Molecular Weight |
303.471
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| Canonical SMILES |
CN(Cc1ccsc1)C(=O)CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H25NOS/c1-19(11-13-2-3-21-12-13)17(20)10-18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,12,14-16H,4-11H2,1H3
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| InChIKey |
SCUFQXWTPMFTIA-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