General Information of the Compound
| Compound ID |
CP0397344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-5-methyl-6-octoxy-1,3-diazinane-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H30BrN5O5
|
||||||||||||||||||
| Molecular Weight |
476.372
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H30BrN5O5/c1-3-4-5-6-7-8-9-28-16-18(2,19)15(26)21-17(27)24(16)14-10-12(22-23-20)13(11-25)29-14/h12-14,16,25H,3-11H2,1-2H3,(H,21,26,27)/t12?,13?,14?,16-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWSNJUKGLKPUHQ-WHPIDJJKSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound