General Information of the Compound
| Compound ID |
CP0485051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,8R,11S)-5-[(3-fluorophenyl)methyl]-8-(propan-2-yl)-11-(1,3-thiazol-4-ylmethyl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38FN5O4S
|
||||||||||||||||||
| Molecular Weight |
595.741
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cscn2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38FN5O4S/c1-20(2)28-31(40)36-26(17-24-18-42-19-35-24)29(38)34-12-6-9-22-8-3-4-11-27(22)41-14-13-33-25(30(39)37-28)16-21-7-5-10-23(32)15-21/h3-5,7-8,10-11,15,18-20,25-26,28,33H,6,9,12-14,16-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)/t25-,26+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFWWTCXENVBKIA-FULLSBAXSA-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