General Information of the Compound
| Compound ID |
CP0409890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8722896, (-)-(3R)-1-(3,5-Dinitrobenzyl)- N-(9-chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClN4O7
|
||||||||||||||||||
| Molecular Weight |
547.008
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31ClN4O7/c1-17(2)13-29(15-19-10-23(27)25-24(11-19)37-6-3-7-38-25)26(32)20-4-5-28(16-20)14-18-8-21(30(33)34)12-22(9-18)31(35)36/h8-12,17,20H,3-7,13-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFGTUPRYAUEKHM-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