General Information of the Compound
| Compound ID |
CP0887738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-15-sec-butyl-12-(4-fluorobenzyl)-6-(3-guanidinopropyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H66FN13O9
|
||||||||||||||||||
| Molecular Weight |
928.081
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(F)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](C)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H66FN13O9/c1-7-24(4)35(40(63)54-31(19-28-20-48-22-50-28)41(64)57-17-9-11-32(57)38(61)51-25(5)42(65)66)56-37(60)30(18-26-12-14-27(44)15-13-26)53-39(62)34(23(2)3)55-36(59)29(52-33(58)21-47-6)10-8-16-49-43(45)46/h12-15,20,22-25,29-32,34-35,47H,7-11,16-19,21H2,1-6H3,(H,48,50)(H,51,61)(H,52,58)(H,53,62)(H,54,63)(H,55,59)(H,56,60)(H,65,66)(H4,45,46,49)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAYKPWBPOWEFSV-KMIMAYJXSA-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: PT01197, Type-1 angiotensin II receptor
Protein ID: PT04214, Type-1 angiotensin II receptor A