General Information of the Compound
| Compound ID |
CP0545339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5206677
Show/Hide
|
||||||||||||||||||
| Formula |
C28H31N3O6
|
||||||||||||||||||
| Molecular Weight |
505.571
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-n1c(COC2CCC2)nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O6/c1-35-21-12-7-13-22(36-2)25(21)31-23(17-37-20-10-6-11-20)29-26(32)24(28(31)34)27(33)30-15-14-19(16-30)18-8-4-3-5-9-18/h3-5,7-9,12-13,19-20,34H,6,10-11,14-17H2,1-2H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKLFHTIKIYLZDM-IBGZPJMESA-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