General Information of the Compound
| Compound ID |
CP0570835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(2S)-2-(octanoylamino)-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H35N3O4
|
||||||||||||||||||
| Molecular Weight |
501.627
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCC(=O)N[C@H](C(=O)Nc1cccc(c1)C(N)=O)c1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N3O4/c1-2-3-4-5-9-15-27(34)33-28(30(36)32-25-14-10-13-24(20-25)29(31)35)23-16-18-26(19-17-23)37-21-22-11-7-6-8-12-22/h6-8,10-14,16-20,28H,2-5,9,15,21H2,1H3,(H2,31,35)(H,32,36)(H,33,34)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDOQLWVUECGDHQ-NDEPHWFRSA-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