General Information of the Compound
| Compound ID |
CP0384033
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| Compound Name |
2-N,N-Dimethylamino-1-(4-methylthiophenyl)propane
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| Synonyms |
2-N,N-Dimethylamino-1-(4-methylthiophenyl)propane
BDBM50310863
CHEMBL1078835
N,N-Dimethyl-1-[4-(methylthio)phenyl]-2-propaneamine
NFRBJBFYUNQIQP-UHFFFAOYSA-N
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| Structure |
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| Formula |
C12H19NS
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| Molecular Weight |
209.358
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| Canonical SMILES |
CSc1ccc(CC(C)N(C)C)cc1
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| InChI |
InChI=1S/C12H19NS/c1-10(13(2)3)9-11-5-7-12(14-4)8-6-11/h5-8,10H,9H2,1-4H3
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| InChIKey |
NFRBJBFYUNQIQP-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