General Information of the Compound
| Compound ID |
CP0435047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S)-3-butyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16N2O2
|
||||||||||||||||||
| Molecular Weight |
220.272
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16N2O2/c1-2-3-4-6-7-5-8-10(9(6)7)13-14-11(8)12(15)16/h6-7,9H,2-5H2,1H3,(H,13,14)(H,15,16)/t6-,7+,9-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZGMLBXSQLGHIS-BKPPORCPSA-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