General Information of the Compound
| Compound ID |
CP0534478
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| Compound Name |
ethyl 4-(4-morpholin-4-ylanilino)-2-[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C30H27F3N4O4S
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| Molecular Weight |
596.631
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| Canonical SMILES |
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H27F3N4O4S/c1-2-41-29(39)25-26(34-22-10-12-24(13-11-22)37-14-16-40-17-15-37)36-28(42-25)20-4-3-5-23(18-20)35-27(38)19-6-8-21(9-7-19)30(31,32)33/h3-13,18,34H,2,14-17H2,1H3,(H,35,38)
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| InChIKey |
HDBQJANDMNFBER-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