General Information of the Compound
| Compound ID |
CP0431933
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| Compound Name |
1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)-3-(methylsulfonyl)urea
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| Structure |
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| Formula |
C18H17BrFN3O3S
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| Molecular Weight |
454.321
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| Canonical SMILES |
CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
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| InChIKey |
ASQXPPFKSBAWCP-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