General Information of the Compound
| Compound ID |
CP0946115
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-amino-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-2-((S)-2-((S)-2-((R)-2-amino-3-mercaptopropanamido)-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido)hexanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C38H48N8O6S
|
||||||||||||||||||
| Molecular Weight |
744.919
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H48N8O6S/c39-17-7-6-12-30(36(50)44-31(34(41)48)18-24-13-15-26(47)16-14-24)43-38(52)33(20-25-21-42-29-11-5-4-10-27(25)29)46-37(51)32(45-35(49)28(40)22-53)19-23-8-2-1-3-9-23/h1-5,8-11,13-16,21,28,30-33,42,47,53H,6-7,12,17-20,22,39-40H2,(H2,41,48)(H,43,52)(H,44,50)(H,45,49)(H,46,51)/t28-,30-,31-,32-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTQLFZRCGXDOJL-FLIXOAOSSA-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 | |||||||||||||||||||
| 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