General Information of the Compound
| Compound ID |
CP0902964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-((R)-1-((S)-4-amino-5-hydroxypentanoyl)piperidin-3-yl)-4-(3'-ethyl-6-fluorobiphenyl-2-yl)-4-hydroxybutylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H42FN3O5
|
||||||||||||||||||
| Molecular Weight |
543.68
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)CO)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H42FN3O5/c1-3-21-8-4-9-22(18-21)28-25(11-5-12-26(28)31)30(38,15-7-16-33-29(37)39-2)23-10-6-17-34(19-23)27(36)14-13-24(32)20-35/h4-5,8-9,11-12,18,23-24,35,38H,3,6-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t23-,24+,30?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNWFRGOWDLWQQW-JRHAALFUSA-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