General Information of the Compound
| Compound ID |
CP0902539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-5-benzyl-1-((S)-2-carbamoylpyrrolidin-1-yl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-isopropyl-17-(methylamino)-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H63N13O10
|
||||||||||||||||||
| Molecular Weight |
946.08
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H63N13O10/c1-25(2)37(57-39(63)30(11-7-17-51-45(47)48)53-40(64)31(49-3)22-36(60)61)43(67)55-33(20-27-13-15-29(59)16-14-27)41(65)54-32(19-26-9-5-4-6-10-26)42(66)56-34(21-28-23-50-24-52-28)44(68)58-18-8-12-35(58)38(46)62/h4-6,9-10,13-16,23-25,30-35,37,49,59H,7-8,11-12,17-22H2,1-3H3,(H2,46,62)(H,50,52)(H,53,64)(H,54,65)(H,55,67)(H,56,66)(H,57,63)(H,60,61)(H4,47,48,51)/t30-,31-,32-,33-,34-,35-,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOCYJZXOENAQQP-JAPLIAJXSA-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