General Information of the Compound
| Compound ID |
CP0084824
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| Compound Name |
4-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C18H18BrN3O4S
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| Molecular Weight |
452.33
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| Canonical SMILES |
OC(=O)c1sc(nc1CC(=O)N1CCc2cc(Br)ccc12)N1CCOCC1
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| InChI |
InChI=1S/C18H18BrN3O4S/c19-12-1-2-14-11(9-12)3-4-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-5-7-26-8-6-21/h1-2,9H,3-8,10H2,(H,24,25)
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| InChIKey |
USEWHOVXQILJOA-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