General Information of the Compound
| Compound ID |
CP0507938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-benzyl-3-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-phenylacetyl)amino]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39ClN4O2
|
||||||||||||||||||
| Molecular Weight |
547.143
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39ClN4O2/c1-35-19-21-36(22-20-35)17-8-18-37(25-28-11-6-3-7-12-28)32(39)30(23-27-13-15-29(33)16-14-27)34-31(38)24-26-9-4-2-5-10-26/h2-7,9-16,30H,8,17-25H2,1H3,(H,34,38)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONIJYHFPJCZMOI-PMERELPUSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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