General Information of the Compound
| Compound ID |
CP0434255
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C58H52N6O4S2
|
||||||||||||||||||
| Molecular Weight |
961.226
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccc1)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)Cc1ccccc1)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C58H52N6O4S2/c65-51(35-39-15-5-1-6-16-39)61-53(45-19-9-3-10-20-45)57(67)63-33-13-23-47(63)55-59-37-49(69-55)43-29-25-41(26-30-43)42-27-31-44(32-28-42)50-38-60-56(70-50)48-24-14-34-64(48)58(68)54(46-21-11-4-12-22-46)62-52(66)36-40-17-7-2-8-18-40/h1-12,15-22,25-32,37-38,47-48,53-54H,13-14,23-24,33-36H2,(H,61,65)(H,62,66)/t47-,48-,53+,54+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOMPHXMMTYXTGG-MBYRBPTLSA-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