General Information of the Compound
| Compound ID |
CP0454167
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| Compound Name |
2-phenyl-N,N-bis(o-tolylthiomethyl)ethanamine
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| Synonyms |
2-phenyl-N,N-bis(o-tolylthiomethyl)ethanamine
AC1MRYJJ
BDBM50232470
CHEMBL398687
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| Structure |
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| Formula |
C24H27NS2
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| Molecular Weight |
393.621
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| Canonical SMILES |
Cc1ccccc1SCN(CCc1ccccc1)CSc1ccccc1C
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| InChI |
InChI=1S/C24H27NS2/c1-20-10-6-8-14-23(20)26-18-25(17-16-22-12-4-3-5-13-22)19-27-24-15-9-7-11-21(24)2/h3-15H,16-19H2,1-2H3
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| InChIKey |
XPJBCYSDRUCTBK-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