General Information of the Compound
| Compound ID |
CP0505763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 5-[[(2S,3R)-3-hydroxy-4-(3-methoxyanilino)-1-phenylbutan-2-yl]carbamoyl]-1-(2-oxo-2-propan-2-yloxyethyl)-4-propyl-4H-pyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H49N3O7
|
||||||||||||||||||
| Molecular Weight |
635.802
|
||||||||||||||||||
| Canonical SMILES |
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H49N3O7/c1-8-13-28-29(21-39(23-33(41)45-24(2)3)22-30(28)35(43)46-36(4,5)6)34(42)38-31(18-25-14-10-9-11-15-25)32(40)20-37-26-16-12-17-27(19-26)44-7/h9-12,14-17,19,21-22,24,28,31-32,37,40H,8,13,18,20,23H2,1-7H3,(H,38,42)/t28?,31-,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMXITDLPCGBKLS-VICIGFPDSA-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