General Information of the Compound
| Compound ID |
CP0358667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(2-methyl-4-chlorophenyl)propionyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H45ClN4O2
|
||||||||||||||||||
| Molecular Weight |
541.18
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H45ClN4O2/c1-21(2)30(33-29(37)12-13-34(6)7)27-18-22(3)8-11-28(27)35-14-16-36(17-15-35)31(38)24(5)19-25-9-10-26(32)20-23(25)4/h8-11,18,20-21,24,30H,12-17,19H2,1-7H3,(H,33,37)/t24-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEPRNTQLEBCAFA-HLADLETHSA-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