General Information of the Compound
| Compound ID |
CP0947331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(4-((4-(2H-tetrazol-5-yl)benzyl)oxy)benzyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N6O3
|
||||||||||||||||||
| Molecular Weight |
482.544
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc(OCc2ccc(-c3nn[nH]n3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N6O3/c34-25-15-14-24(27(35)28-16-19-4-2-1-3-5-19)33(25)17-20-8-12-23(13-9-20)36-18-21-6-10-22(11-7-21)26-29-31-32-30-26/h1-13,24H,14-18H2,(H,28,35)(H,29,30,31,32)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPWBATBMHSAKCB-DEOSSOPVSA-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