General Information of the Compound
| Compound ID |
CP0962127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((S)-2-amino-3-(1H-imidazol-5-yl)propanoyl)-N-((S)-1-((S)-1-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)-1-(4-hydroxybenzyl)hydrazinecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H49N11O7
|
||||||||||||||||||
| Molecular Weight |
735.847
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H49N11O7/c1-21(32(50)44-29(16-23-8-4-3-5-9-23)34(52)43-28(30(38)48)10-6-7-15-36)41-31(49)22(2)42-35(53)46(19-24-11-13-26(47)14-12-24)45-33(51)27(37)17-25-18-39-20-40-25/h3-5,8-9,11-14,18,20-22,27-29,47H,6-7,10,15-17,19,36-37H2,1-2H3,(H2,38,48)(H,39,40)(H,41,49)(H,42,53)(H,43,52)(H,44,50)(H,45,51)/t21-,22-,27-,28-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKYGQIXPDFTIRJ-XIFCMFAJSA-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