General Information of the Compound
| Compound ID |
CP0493572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl]-1H-1,2,3,4-tetrazol-1-yl}ethyl N-[3-(1H-imidazol-1-yl)propyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33N9O4
|
||||||||||||||||||
| Molecular Weight |
499.576
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCn1ccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33N9O4/c1-23(2,24)21(33)27-19(16-35-15-18-7-4-3-5-8-18)20-28-29-30-32(20)13-14-36-22(34)26-9-6-11-31-12-10-25-17-31/h3-5,7-8,10,12,17,19H,6,9,11,13-16,24H2,1-2H3,(H,26,34)(H,27,33)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQUGRYHPMIRJEI-LJQANCHMSA-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