General Information of the Compound
| Compound ID |
CP0911459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8R)-5-cyclopropyl-11-(4-fluorobenzyl)-7,8-dimethyl-1-oxa-4,7,10,13-tetraazacyclooctadec-16-ene-6,9,12-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35FN4O4
|
||||||||||||||||||
| Molecular Weight |
474.577
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC/C=C\COCCN[C@@H](C2CC2)C(=O)N1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35FN4O4/c1-17-23(31)29-21(16-18-6-10-20(26)11-7-18)24(32)28-12-4-3-5-14-34-15-13-27-22(19-8-9-19)25(33)30(17)2/h3,5-7,10-11,17,19,21-22,27H,4,8-9,12-16H2,1-2H3,(H,28,32)(H,29,31)/b5-3-/t17-,21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMQDXTJOQWFXEY-YORMVXGKSA-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