General Information of the Compound
| Compound ID |
CP0916464
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| Compound Name |
(Z)-5-(4-(3-(Piperidin-1-yl)propoxy)benzylidene)-2-thioxothiazolidin-4-one
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| Structure |
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| Formula |
C18H22N2O2S2
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| Molecular Weight |
362.52
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| Canonical SMILES |
O=C1NC(=S)S/C1=C\c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C18H22N2O2S2/c21-17-16(24-18(23)19-17)13-14-5-7-15(8-6-14)22-12-4-11-20-9-2-1-3-10-20/h5-8,13H,1-4,9-12H2,(H,19,21,23)/b16-13-
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| InChIKey |
IWHWCNPQWQHGCP-SSZFMOIBSA-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma