General Information of the Compound
| Compound ID |
CP0885723
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87543554
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H45F4N5O6
|
||||||||||||||||||
| Molecular Weight |
731.788
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H45F4N5O6/c1-23-20-46(24(2)22-47)34(48)31-19-30(43-35(49)42-28-12-8-26(9-13-28)37(39,40)41)16-17-32(31)52-25(3)7-5-6-18-51-33(23)21-45(4)36(50)44-29-14-10-27(38)11-15-29/h8-17,19,23-25,33,47H,5-7,18,20-22H2,1-4H3,(H,44,50)(H2,42,43,49)/t23-,24-,25+,33+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQUVQYUFJNDSEH-OEDABOJWSA-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