General Information of the Compound
| Compound ID |
CP0458586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[[(3S)-3-amino-3-carboxypropyl]-hydroxyphosphoryl]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16NO6P
|
||||||||||||||||||
| Molecular Weight |
301.235
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCP(O)(=O)Cc1cccc(c1)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16NO6P/c13-10(12(16)17)4-5-20(18,19)7-8-2-1-3-9(6-8)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPJHHSICPSOAAB-JTQLQIEISA-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