General Information of the Compound
| Compound ID |
CP0452685
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| Compound Name |
2-[3-[(4-fluorobenzoyl)amino]phenyl]-4-[4-(morpholine-4-carbonyl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C28H24FN5O4S
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| Molecular Weight |
545.596
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| Canonical SMILES |
NC(=O)c1sc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)-c1cccc(NC(=O)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C28H24FN5O4S/c29-20-8-4-17(5-9-20)26(36)32-22-3-1-2-19(16-22)27-33-25(23(39-27)24(30)35)31-21-10-6-18(7-11-21)28(37)34-12-14-38-15-13-34/h1-11,16,31H,12-15H2,(H2,30,35)(H,32,36)
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| InChIKey |
PQAYCOHGNVZBLK-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