General Information of the Compound
| Compound ID |
CP0845116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Cpa-cyclo(DCys-Pal-DTrp-Dab-Thr-Cys)-Nal-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C55H63ClN12O9S2
|
||||||||||||||||||
| Molecular Weight |
1135.771
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](O)[C@H]1NC(=O)[C@@H](N)CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C55H63ClN12O9S2/c1-30(69)47-55(77)67-46(53(75)63-42(48(59)70)23-32-12-15-34-8-2-3-9-35(34)21-32)29-79-78-28-45(66-50(72)40(58)22-31-13-16-37(56)17-14-31)54(76)64-43(24-33-7-6-19-60-26-33)52(74)65-44(51(73)61-20-18-39(57)49(71)68-47)25-36-27-62-41-11-5-4-10-38(36)41/h2-17,19,21,26-27,30,39-40,42-47,62,69H,18,20,22-25,28-29,57-58H2,1H3,(H2,59,70)(H,61,73)(H,63,75)(H,64,76)(H,65,74)(H,66,72)(H,67,77)(H,68,71)/t30-,39-,40-,42-,43-,44+,45+,46-,47+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPOBLZWCQGCTGO-KWEFLOHWSA-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5