General Information of the Compound
| Compound ID |
CP0869923
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| Compound Name |
1-(4-bromophenyl)-3-(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl)urea
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| Formula |
C15H20BrN3O
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| Molecular Weight |
338.249
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]1C[C@H](NC(=O)Nc1ccc(Br)cc1)C2
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| InChI |
InChI=1S/C15H20BrN3O/c1-19-13-6-7-14(19)9-12(8-13)18-15(20)17-11-4-2-10(16)3-5-11/h2-5,12-14H,6-9H2,1H3,(H2,17,18,20)/t12-,13-,14+
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| InChIKey |
AMDBBNUYEDHZLS-ZSOGYDGISA-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