General Information of the Compound
| Compound ID |
CP0072369
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| Compound Name |
AMBROXOL
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| Formula |
C13H18Br2N2O
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| Molecular Weight |
378.108
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| Canonical SMILES |
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
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| InChIKey |
JBDGDEWWOUBZPM-XYPYZODXSA-N
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| CAS |
18683-91-5
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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