General Information of the Compound
| Compound ID |
CP0550940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-morpholin-4-yl-N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(3-morpholin-4-ylpropanoylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C56H62N8O6S2
|
||||||||||||||||||
| Molecular Weight |
1007.296
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCN1CCOCC1)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)CCN1CCOCC1)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C56H62N8O6S2/c65-49(23-27-61-29-33-69-34-30-61)59-51(43-9-3-1-4-10-43)55(67)63-25-7-13-45(63)53-57-37-47(71-53)41-19-15-39(16-20-41)40-17-21-42(22-18-40)48-38-58-54(72-48)46-14-8-26-64(46)56(68)52(44-11-5-2-6-12-44)60-50(66)24-28-62-31-35-70-36-32-62/h1-6,9-12,15-22,37-38,45-46,51-52H,7-8,13-14,23-36H2,(H,59,65)(H,60,66)/t45-,46-,51+,52+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQWSTVJYHAKVMT-WVTOUMAVSA-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