General Information of the Compound
| Compound ID |
CP0845330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[Sar1,Bpa4,Tyr8]-AngII
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C56H75N13O10
|
||||||||||||||||||
| Molecular Weight |
1090.297
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C56H75N13O10/c1-6-34(4)47(53(76)65-42(29-39-30-60-32-62-39)54(77)69-26-14-20-44(69)51(74)66-43(55(78)79)28-35-15-9-7-10-16-35)68-50(73)41(27-36-21-23-38(24-22-36)48(71)37-17-11-8-12-18-37)64-52(75)46(33(2)3)67-49(72)40(63-45(70)31-59-5)19-13-25-61-56(57)58/h7-12,15-18,21-24,30,32-34,40-44,46-47,59H,6,13-14,19-20,25-29,31H2,1-5H3,(H,60,62)(H,63,70)(H,64,75)(H,65,76)(H,66,74)(H,67,72)(H,68,73)(H,78,79)(H4,57,58,61)/t34-,40-,41-,42-,43-,44-,46-,47-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWDKLXCZOUJAAA-RVGMRRLESA-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