General Information of the Compound
| Compound ID |
CP0452319
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| Compound Name |
2-N-hydroxy-N-methylamino-1-(4-methylthiophenyl)butane
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| Structure |
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| Formula |
C13H21NOS
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| Molecular Weight |
239.384
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| Canonical SMILES |
CCC(Cc1ccc(SC)cc1)N(C)OC
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| InChI |
InChI=1S/C13H21NOS/c1-5-12(14(2)15-3)10-11-6-8-13(16-4)9-7-11/h6-9,12H,5,10H2,1-4H3
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| InChIKey |
LATQSQSLSPUYSC-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