General Information of the Compound
| Compound ID |
CP0475326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4073589
Show/Hide
|
||||||||||||||||||
| Formula |
C24H23ClN2O4
|
||||||||||||||||||
| Molecular Weight |
438.911
|
||||||||||||||||||
| Canonical SMILES |
O[C@]1(Cc2cc(on2)-c2ccc3[nH]c(=O)oc3c2)CC[C@H](Cc2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClN2O4/c25-18-4-1-15(2-5-18)11-16-7-9-24(29,10-8-16)14-19-13-21(31-27-19)17-3-6-20-22(12-17)30-23(28)26-20/h1-6,12-13,16,29H,7-11,14H2,(H,26,28)/t16-,24+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWCPNUBZIAIXME-ONEIWYMKSA-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