General Information of the Compound
| Compound ID |
CP0365982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3613352
Show/Hide
|
||||||||||||||||||
| Formula |
C34H33F3N2O5
|
||||||||||||||||||
| Molecular Weight |
606.641
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F)C(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H33F3N2O5/c35-34(36,37)28-4-2-1-3-27(28)21-5-7-22(8-6-21)30(40)38-13-14-39-31(41)23-9-11-26(12-10-23)44-29-24-15-20-16-25(29)19-33(17-20,18-24)32(42)43/h1-12,20,24-25,29H,13-19H2,(H,38,40)(H,39,41)(H,42,43)/t20?,24?,25?,29-,33-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFLGGVGMBOPGNL-OWZKXTJZSA-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