General Information of the Compound
| Compound ID |
CP0938226
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| Compound Name |
(1S,2S,4S)-N-(2-((5Z)-5-(4-Ethylbenzylidene)-2,4-dioxothiazolidin-3-yl)ethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C22H24N2O3S
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| Molecular Weight |
396.512
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| Canonical SMILES |
CCc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1
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| InChI |
InChI=1S/C22H24N2O3S/c1-2-14-3-5-15(6-4-14)13-19-21(26)24(22(27)28-19)10-9-23-20(25)18-12-16-7-8-17(18)11-16/h3-8,13,16-18H,2,9-12H2,1H3,(H,23,25)/b19-13-/t16-,17+,18-/m0/s1
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| InChIKey |
MNPFNERKWZGOFI-VXGJULBZSA-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