General Information of the Compound
| Compound ID |
CP0455193
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| Compound Name |
1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
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| Structure |
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| Formula |
C17H18ClNOS
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| Molecular Weight |
319.857
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| Canonical SMILES |
CN(Cc1cccs1)C(=O)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H18ClNOS/c1-19(12-15-4-2-11-21-15)16(20)17(9-3-10-17)13-5-7-14(18)8-6-13/h2,4-8,11H,3,9-10,12H2,1H3
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| InChIKey |
ZIIHWQIIOIDUFI-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