General Information of the Compound
| Compound ID |
CP0241924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-3-[(2S,3S)-3-[[(2S)-2-(1-benzofuran-2-carbonylamino)-2-[(3R)-oxolan-3-yl]acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H46N4O7S
|
||||||||||||||||||
| Molecular Weight |
726.896
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cc2ccccc2o1)[C@H]1CCOC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H46N4O7S/c1-24-11-10-12-25(2)29(24)21-41-38(48)35-40(3,4)52-23-44(35)39(49)34(45)30(19-26-13-6-5-7-14-26)42-37(47)33(28-17-18-50-22-28)43-36(46)32-20-27-15-8-9-16-31(27)51-32/h5-16,20,28,30,33-35,45H,17-19,21-23H2,1-4H3,(H,41,48)(H,42,47)(H,43,46)/t28-,30-,33-,34-,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVHPGMGZSBLTQT-MHOAPJQESA-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