General Information of the Compound
| Compound ID |
CP0506180
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 2-[3-acetyl-5-[[(2S,3R)-3-hydroxy-4-(3-methoxyanilino)-1-phenylbutan-2-yl]carbamoyl]-2,6-dimethyl-4-propyl-4H-pyridin-1-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H47N3O6
|
||||||||||||||||||
| Molecular Weight |
605.776
|
||||||||||||||||||
| Canonical SMILES |
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H47N3O6/c1-8-13-29-33(25(6)39)23(4)38(21-32(41)44-22(2)3)24(5)34(29)35(42)37-30(18-26-14-10-9-11-15-26)31(40)20-36-27-16-12-17-28(19-27)43-7/h9-12,14-17,19,22,29-31,36,40H,8,13,18,20-21H2,1-7H3,(H,37,42)/t29?,30-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODSVUOPSLHETDS-CJZYSFCQSA-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