General Information of the Compound
| Compound ID |
CP0462012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-di(dodecanoyloxy)propyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H62N2O8S
|
||||||||||||||||||
| Molecular Weight |
646.932
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H62N2O8S/c1-3-5-7-9-11-13-15-17-19-21-30(37)42-24-27(25-44-26-28(34)32(39)35-29(23-36)33(40)41)43-31(38)22-20-18-16-14-12-10-8-6-4-2/h27-29,36H,3-26,34H2,1-2H3,(H,35,39)(H,40,41)/t27-,28+,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WROWZYAJCPLVQC-ULNSLHSMSA-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