General Information of the Compound
| Compound ID |
CP0296428
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(1S)-(methylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41ClN4O2
|
||||||||||||||||||
| Molecular Weight |
513.126
|
||||||||||||||||||
| Canonical SMILES |
CNCCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41ClN4O2/c1-20(2)28(32-27(35)12-13-31-5)25-18-21(3)6-11-26(25)33-14-16-34(17-15-33)29(36)22(4)19-23-7-9-24(30)10-8-23/h6-11,18,20,22,28,31H,12-17,19H2,1-5H3,(H,32,35)/t22-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHASNPJPTJYEPD-DFHRPNOPSA-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