General Information of the Compound
| Compound ID |
CP0547090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5092963
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23N5O2
|
||||||||||||||||||
| Molecular Weight |
377.448
|
||||||||||||||||||
| Canonical SMILES |
C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N5O2/c1-2-5-16(6-3-1)19-14-25(9-10-27-19)20-13-21(23-15-22-20)28-18-11-17(12-18)26-8-4-7-24-26/h1-8,13,15,17-19H,9-12,14H2/t17-,18+,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXGFJBHPOCYADP-CEXWTWQISA-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 | |||||||||||||||||||
| 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
Protein ID: PT05231, Very long chain fatty acid elongase 1
Protein ID: PT06084, Very long chain fatty acid elongase 6