General Information of the Compound
| Compound ID |
CP0955173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-6-(4-aminobutyl)-15-sec-butyl-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H67N11O10
|
||||||||||||||||||
| Molecular Weight |
898.076
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)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/C43H67N11O10/c1-7-25(4)36(41(61)51-32(20-28-21-46-23-47-28)42(62)54-18-10-12-33(54)39(59)48-26(5)43(63)64)53-38(58)31(19-27-13-15-29(55)16-14-27)50-40(60)35(24(2)3)52-37(57)30(11-8-9-17-44)49-34(56)22-45-6/h13-16,21,23-26,30-33,35-36,45,55H,7-12,17-20,22,44H2,1-6H3,(H,46,47)(H,48,59)(H,49,56)(H,50,60)(H,51,61)(H,52,57)(H,53,58)(H,63,64)/t25-,26+,30-,31-,32-,33-,35-,36-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDWPXBPPKQCBPQ-AHKAIMGBSA-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