General Information of the Compound
| Compound ID |
CP0547802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-N-methyl-2-[(4-methylphenyl)sulfonylamino]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38N4O3S
|
||||||||||||||||||
| Molecular Weight |
534.726
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)CNS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N4O3S/c1-22-9-15-28(16-10-22)38(36,37)31-17-30(35)33(4)21-27-7-5-6-8-29(27)26-13-11-25(12-14-26)20-34-18-23(2)32-24(3)19-34/h5-16,23-24,31-32H,17-21H2,1-4H3/t23-,24+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNXPQZMNXZNIIY-PSWAGMNNSA-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