General Information of the Compound
| Compound ID |
CP0363205
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl (2S,4S)-4-(4-pyridin-2-yltriazol-1-yl)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6O3
|
||||||||||||||||||
| Molecular Weight |
446.511
|
||||||||||||||||||
| Canonical SMILES |
O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDHVNENQKDYTSG-UGKGYDQZSA-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