General Information of the Compound
| Compound ID |
CP0520553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637507, C-5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27ClFN3O5
|
||||||||||||||||||
| Molecular Weight |
527.98
|
||||||||||||||||||
| Canonical SMILES |
CCC1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(cc2O1)-c1ccc(OCC(C)(C)C(O)=O)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27ClFN3O5/c1-4-19-14-32(26(35)31-21-8-7-18(28)12-20(21)29)22-9-5-16(11-23(22)37-19)17-6-10-24(30-13-17)36-15-27(2,3)25(33)34/h5-13,19H,4,14-15H2,1-3H3,(H,31,35)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARVPCQBTINRJQD-UHFFFAOYSA-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