General Information of the Compound
| Compound ID |
CP0919563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-Methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-5-{2-[3-(methylsulfonyl)pyrrolidin-1-yl]-2-oxoethyl}pyridin-3-yl]methanamine dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H37Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
530.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2c(CC(=O)N3CCC(S(C)(=O)=O)C3)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N3O3S.2ClH/c1-16(2)12-23-22(14-26)25(19-8-6-17(3)7-9-19)21(18(4)27-23)13-24(29)28-11-10-20(15-28)32(5,30)31;;/h6-9,16,20H,10-15,26H2,1-5H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOVUCDGZCCISOT-UHFFFAOYSA-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