General Information of the Compound
| Compound ID |
CP0899555
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Bromo-N-((S)-1-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-3-methyl-butyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41BrN4O3
|
||||||||||||||||||
| Molecular Weight |
573.576
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41BrN4O3/c1-21(2)18-27(32-28(35)23-8-10-24(30)11-9-23)29(36)31-25-14-16-34(20-25)19-22-6-12-26(13-7-22)37-17-5-15-33(3)4/h6-13,21,25,27H,5,14-20H2,1-4H3,(H,31,36)(H,32,35)/t25-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFRNCXGSJUADFM-BDYUSTAISA-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