General Information of the Compound
| Compound ID |
CP0577570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5185709
Show/Hide
|
||||||||||||||||||
| Formula |
C27H29N3O6
|
||||||||||||||||||
| Molecular Weight |
491.544
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-n1c(COC2CC2)nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O6/c1-34-20-9-6-10-21(35-2)24(20)30-22(16-36-19-11-12-19)28-25(31)23(27(30)33)26(32)29-14-13-18(15-29)17-7-4-3-5-8-17/h3-10,18-19,33H,11-16H2,1-2H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAFQKSCSHSGAGO-SFHVURJKSA-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