General Information of the Compound
| Compound ID |
CP0444651
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(3-bromo-4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28BrCl2N3O2
|
||||||||||||||||||
| Molecular Weight |
529.306
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28BrCl2N3O2/c1-28(2)9-3-11-31-22-7-4-16(12-19(22)24)14-29-10-8-18(15-29)27-23(30)17-5-6-20(25)21(26)13-17/h4-7,12-13,18H,3,8-11,14-15H2,1-2H3,(H,27,30)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQUYCTYOXNKVBN-SFHVURJKSA-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