General Information of the Compound
| Compound ID |
CP0538218
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| Compound Name |
4-(4-morpholin-4-ylanilino)-2-[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C28H23F3N4O4S
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| Molecular Weight |
568.577
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| Canonical SMILES |
OC(=O)c1sc(nc1Nc1ccc(cc1)N1CCOCC1)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C28H23F3N4O4S/c29-28(30,31)19-6-4-17(5-7-19)25(36)33-21-3-1-2-18(16-21)26-34-24(23(40-26)27(37)38)32-20-8-10-22(11-9-20)35-12-14-39-15-13-35/h1-11,16,32H,12-15H2,(H,33,36)(H,37,38)
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| InChIKey |
QPWPPKCJJUWBJU-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