General Information of the Compound
| Compound ID |
CP0289578
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Asp-Thr-p-F-Phe-Val-Gly-Leu-Nle-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H59FN8O10
|
||||||||||||||||||
| Molecular Weight |
794.923
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H59FN8O10/c1-18(2)8-13-25(32(40)51)43-34(53)26(14-19(3)4)42-28(48)17-41-36(55)30(20(5)6)45-35(54)27(15-22-9-11-23(38)12-10-22)44-37(56)31(21(7)47)46-33(52)24(39)16-29(49)50/h9-12,18-21,24-27,30-31,47H,8,13-17,39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,53)(H,44,56)(H,45,54)(H,46,52)(H,49,50)/t21-,24+,25+,26+,27+,30+,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYUMVJRSMWTARL-VPFUYYLISA-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