General Information of the Compound
| Compound ID |
CP0491965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[[(2S)-2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-(hexanoylamino)acetyl]amino]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H31Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
556.49
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCc1ccc(cc1)C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31Cl2N3O4/c1-2-3-4-8-26(35)34-27(29(37)33-17-19-9-11-21(12-10-19)28(32)36)20-13-15-22(16-14-20)38-18-23-24(30)6-5-7-25(23)31/h5-7,9-16,27H,2-4,8,17-18H2,1H3,(H2,32,36)(H,33,37)(H,34,35)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHPJKOYFWJXEGF-MHZLTWQESA-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