General Information of the Compound
| Compound ID |
CP0429362
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| Compound Name |
N,N-dimethyl-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
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| Structure |
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| Formula |
C14H18N2S2
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| Molecular Weight |
278.446
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| Canonical SMILES |
CN(C)CCSc1nc(c(C)s1)-c1ccccc1
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| InChI |
InChI=1S/C14H18N2S2/c1-11-13(12-7-5-4-6-8-12)15-14(18-11)17-10-9-16(2)3/h4-8H,9-10H2,1-3H3
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| InChIKey |
YUNQISHLAWIJSE-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