General Information of the Compound
| Compound ID |
CP0535355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl (3R)-3-acetamidopyrrolidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34N8O5
|
||||||||||||||||||
| Molecular Weight |
502.576
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H]1CCN(C1)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34N8O5/c1-16(32)25-18-9-10-30(13-18)22(34)36-12-11-31-20(27-28-29-31)19(26-21(33)23(2,3)24)15-35-14-17-7-5-4-6-8-17/h4-8,18-19H,9-15,24H2,1-3H3,(H,25,32)(H,26,33)/t18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFFIHUHLUGLDBF-RTBURBONSA-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