General Information of the Compound
| Compound ID |
CP0537496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(2S)-2-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]benzoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C38H31N3O6
|
||||||||||||||||||
| Molecular Weight |
625.681
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3cccc4CCC(=O)c34)cc2)c2ccc(OCc3ccccc3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H31N3O6/c39-36(43)28-9-4-10-29(22-28)40-38(45)35(26-12-17-30(18-13-26)46-23-24-6-2-1-3-7-24)41-37(44)27-14-19-31(20-15-27)47-33-11-5-8-25-16-21-32(42)34(25)33/h1-15,17-20,22,35H,16,21,23H2,(H2,39,43)(H,40,45)(H,41,44)/t35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMDJVHWPFZMVDH-DHUJRADRSA-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