General Information of the Compound
| Compound ID |
CP0373087
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| Compound Name |
5-benzyl-N-(2-(4-ethoxybenzamido)ethyl)-4-phenylthiazole-2-carboxamide
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| Structure |
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| Formula |
C28H27N3O3S
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| Molecular Weight |
485.609
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| Canonical SMILES |
CCOc1ccc(cc1)C(=O)NCCNC(=O)c1nc(c(Cc2ccccc2)s1)-c1ccccc1
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| InChI |
InChI=1S/C28H27N3O3S/c1-2-34-23-15-13-22(14-16-23)26(32)29-17-18-30-27(33)28-31-25(21-11-7-4-8-12-21)24(35-28)19-20-9-5-3-6-10-20/h3-16H,2,17-19H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
YMDLSFQEGOEKNS-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