General Information of the Compound
| Compound ID |
CP0482141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2R)-3-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanylethyl hexadecanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H47F3N2O7S
|
||||||||||||||||||
| Molecular Weight |
600.741
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H47F3N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(34)39-17-18-40-20-22(32-26(37)27(28,29)30)24(35)31-21(19-33)25(36)38-2/h21-22,33H,3-20H2,1-2H3,(H,31,35)(H,32,37)/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZWVESLSBIZISR-VXKWHMMOSA-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