General Information of the Compound
| Compound ID |
CP0439460
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| Compound Name |
1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(4-bromophenyl)urea
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| Structure |
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| Formula |
C14H18BrN3O
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| Molecular Weight |
324.222
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| Canonical SMILES |
Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1
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| InChI |
InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1
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| InChIKey |
ACGFWKUYDZFEMP-ZDUSSCGKSA-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