General Information of the Compound
| Compound ID |
CP0502524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-amino-3-iodo)-D-Phe-c[Cys-(3-iodo)-Tyr-D-Trp-Lys-Val-Cys]-Asp-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H64I2N12O11S2
|
||||||||||||||||||
| Molecular Weight |
1327.077
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)c(I)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H64I2N12O11S2/c1-24(2)42-50(75)63-39(48(73)59-35(43(56)68)20-41(66)67)23-77-76-22-38(62-44(69)32(55)17-25-10-12-31(54)29(51)15-25)49(74)60-36(18-26-11-13-40(65)30(52)16-26)46(71)61-37(19-27-21-57-33-8-4-3-7-28(27)33)47(72)58-34(45(70)64-42)9-5-6-14-53/h3-4,7-8,10-13,15-16,21,24,32,34-39,42,57,65H,5-6,9,14,17-20,22-23,53-55H2,1-2H3,(H2,56,68)(H,58,72)(H,59,73)(H,60,74)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,66,67)/t32-,34-,35-,36-,37+,38-,39+,42+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCLKKUARHZJXBX-ADLHATSZSA-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
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01196, Somatostatin receptor type 5