General Information of the Compound
| Compound ID |
CP0453964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R)-3-[(2R)-2-[[2-[2-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetyl]amino]-3-[[2-[[(2R)-1-[3-[2-[2-[3-[[2-(2-amino-2-oxoethoxy)acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C73H136N8O21S
|
||||||||||||||||||
| Molecular Weight |
1493.993
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C73H136N8O21S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34-70(89)101-54-62(102-71(90)35-29-27-25-23-21-19-17-15-13-11-9-7-5-2)59-103-60-64(81-69(88)58-100-57-68(87)77-38-32-42-95-45-49-97-48-44-93-40-30-36-75-61(3)83)73(92)79-52-66(85)80-63(53-82)72(91)78-39-33-43-96-47-51-98-50-46-94-41-31-37-76-67(86)56-99-55-65(74)84/h62-64,82H,4-60H2,1-3H3,(H2,74,84)(H,75,83)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,80,85)(H,81,88)/t62-,63-,64+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWTKNAKNIMXMRA-JJGWWSOQSA-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