General Information of the Compound
| Compound ID |
CP0513728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3S,3'R,5'R)-5'-benzyl-2-oxo-1'-(pyridine-2-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23N3O4
|
||||||||||||||||||
| Molecular Weight |
441.487
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](Cc2ccccc2)N(C(=O)c2ccccn2)[C@@]11C(=O)Nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23N3O4/c1-33-24(31)20-16-18(15-17-9-3-2-4-10-17)29(23(30)22-13-7-8-14-27-22)26(20)19-11-5-6-12-21(19)28-25(26)32/h2-14,18,20H,15-16H2,1H3,(H,28,32)/t18-,20-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAOBMRMJVZOOIC-STTRJGPESA-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