General Information of the Compound
| Compound ID |
CP0875088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,4-Dichloro-N-((S)-1-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-2-methyl-propyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
549.543
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38Cl2N4O3/c1-19(2)26(32-27(35)21-8-11-24(29)25(30)16-21)28(36)31-22-12-14-34(18-22)17-20-6-9-23(10-7-20)37-15-5-13-33(3)4/h6-11,16,19,22,26H,5,12-15,17-18H2,1-4H3,(H,31,36)(H,32,35)/t22-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNVZZZPLGYMSFV-NVQXNPDNSA-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