General Information of the Compound
| Compound ID |
CP0953330
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| Compound Name |
(Z)-3-(2-((1R,2R,4R,5S,6R)-5,6-Dihydroxybicyclo[2.2.1]heptane-2-yl)ethyl)-5-(4-ethylbenzylidene)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C21H25NO4S
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| Molecular Weight |
387.501
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| Canonical SMILES |
CCc1ccc(/C=C2\SC(=O)N(CC[C@H]3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)C2=O)cc1
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| InChI |
InChI=1S/C21H25NO4S/c1-2-12-3-5-13(6-4-12)9-17-20(25)22(21(26)27-17)8-7-14-10-15-11-16(14)19(24)18(15)23/h3-6,9,14-16,18-19,23-24H,2,7-8,10-11H2,1H3/b17-9-/t14-,15+,16+,18-,19+/m0/s1
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| InChIKey |
VNZRDFOIVYGPLM-TWGSQKQESA-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