General Information of the Compound
| Compound ID |
CP0464587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Orn]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H63N9O7
|
||||||||||||||||||
| Molecular Weight |
854.066
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H63N9O7/c1-29(56)50-37(25-30-13-4-2-5-14-30)42(58)52-36-20-11-23-48-41(57)35(19-10-22-47)51-44(60)39(27-32-28-49-34-18-9-8-17-33(32)34)53-43(59)38(26-31-15-6-3-7-16-31)54-45(61)40-21-12-24-55(40)46(36)62/h2,4-5,8-9,13-14,17-18,28,31,35-40,49H,3,6-7,10-12,15-16,19-27,47H2,1H3,(H,48,57)(H,50,56)(H,51,60)(H,52,58)(H,53,59)(H,54,61)/t35-,36-,37-,38+,39-,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIIGSGJRNUYBBN-HPSWDUTRSA-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