General Information of the Compound
| Compound ID |
CP0522280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[[(2R)-3-[(3R)-3-(dodecanoylamino)decoxy]-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C51H92N3O11P
|
||||||||||||||||||
| Molecular Weight |
954.281
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)NC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C51H92N3O11P/c1-4-7-10-13-15-17-18-20-22-25-28-31-49(57)54-45(42-65-66(61,62)64-39-37-52-50(58)47(51(59)60)40-43-32-34-46(55)35-33-43)41-63-38-36-44(29-26-23-12-9-6-3)53-48(56)30-27-24-21-19-16-14-11-8-5-2/h32-35,44-45,47,55H,4-31,36-42H2,1-3H3,(H,52,58)(H,53,56)(H,54,57)(H,59,60)(H,61,62)/t44-,45-,47?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEUJNXFFAXGTPT-ZUXLDMMCSA-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