General Information of the Compound
| Compound ID |
CP0541687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-Phe-Orn-Pro-cha-Trp-Phe-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H65N9O7
|
||||||||||||||||||
| Molecular Weight |
904.126
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H65N9O7/c1-32(60)54-41(28-34-17-7-3-8-18-34)46(62)55-39(23-13-25-51)50(66)59-26-14-24-44(59)49(65)58-42(29-35-19-9-4-10-20-35)47(63)57-43(30-36-31-53-38-22-12-11-21-37(36)38)48(64)56-40(45(52)61)27-33-15-5-2-6-16-33/h2-3,5-8,11-12,15-18,21-22,31,35,39-44,53H,4,9-10,13-14,19-20,23-30,51H2,1H3,(H2,52,61)(H,54,60)(H,55,62)(H,56,64)(H,57,63)(H,58,65)/t39-,40+,41-,42+,43+,44-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHLGWFUNONXUAQ-HMPJAGLASA-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