General Information of the Compound
| Compound ID |
CP0497029
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| Compound Name |
2-N-Allylamino-1-(4-methylthiophenyl)propan
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| Synonyms |
2-N-Allylamino-1-(4-methylthiophenyl)propan
CHEMBL1079254
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| Structure |
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| Formula |
C13H19NS
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| Molecular Weight |
221.369
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| Canonical SMILES |
CSc1ccc(CC(C)NCC=C)cc1
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| InChI |
InChI=1S/C13H19NS/c1-4-9-14-11(2)10-12-5-7-13(15-3)8-6-12/h4-8,11,14H,1,9-10H2,2-3H3
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| InChIKey |
QEAUILQRYNKCJK-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
Clinical Information about the Compound