General Information of the Compound
| Compound ID |
CP0852326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((R)-3-((S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido)-4-phenylbutanamido)-N-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-5-guanidinopentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45N11O5
|
||||||||||||||||||
| Molecular Weight |
699.817
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45N11O5/c1-21(47)43-30(16-25-19-39-20-42-25)34(51)44-24(14-22-8-3-2-4-9-22)17-31(48)45-28(12-7-13-40-35(37)38)33(50)46-29(32(36)49)15-23-18-41-27-11-6-5-10-26(23)27/h2-6,8-11,18-20,24,28-30,41H,7,12-17H2,1H3,(H2,36,49)(H,39,42)(H,43,47)(H,44,51)(H,45,48)(H,46,50)(H4,37,38,40)/t24-,28+,29+,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLXNMZKMMPPHTG-GKIXMTHWSA-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