General Information of the Compound
| Compound ID |
CP0460878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-6-amino-2-[[2-[3-[(2S)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetyl]amino]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N5O4S
|
||||||||||||||||||
| Molecular Weight |
587.746
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@@H](NC(=O)CC1SC(N([C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)C1=O)c1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N5O4S/c33-18-8-7-13-25(29(34)39)36-28(38)20-27-31(41)37(32(42-27)24-11-5-2-6-12-24)26(30(35)40)19-21-14-16-23(17-15-21)22-9-3-1-4-10-22/h1-6,9-12,14-17,25-27,32H,7-8,13,18-20,33H2,(H2,34,39)(H2,35,40)(H,36,38)/t25-,26+,27?,32?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRUHAHDGPMQZAF-TYJZTFFYSA-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