General Information of the Compound
| Compound ID |
CP0502907
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| Compound Name |
1-(3-(4-methoxyphenylthio)phenyl)piperazine
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| Structure |
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| Formula |
C17H20N2OS
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| Molecular Weight |
300.427
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| Canonical SMILES |
COc1ccc(Sc2cccc(c2)N2CCNCC2)cc1
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| InChI |
InChI=1S/C17H20N2OS/c1-20-15-5-7-16(8-6-15)21-17-4-2-3-14(13-17)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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| InChIKey |
LGCDXLLRIIQQTM-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