General Information of the Compound
| Compound ID |
CP0553468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-5-[[(5S)-5-[[(4S)-4-carboxy-4-(hexadecanoylamino)butanoyl]amino]-6-[2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexyl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C60H110N6O16
|
||||||||||||||||||
| Molecular Weight |
1171.566
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(O)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C60H110N6O16/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-53(68)65-50(59(75)76)34-36-52(67)61-38-30-29-31-49(58(74)63-40-42-80-43-45-81-47-56(71)62-39-41-79-44-46-82-48-57(72)73)64-55(70)37-35-51(60(77)78)66-54(69)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49-51H,3-48H2,1-2H3,(H,61,67)(H,62,71)(H,63,74)(H,64,70)(H,65,68)(H,66,69)(H,72,73)(H,75,76)(H,77,78)/t49-,50-,51-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKZAAZFJUXVCLI-HTZDTEJJSA-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 | |||||||||||||||||||
| 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