General Information of the Compound
| Compound ID |
CP0471722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H46N6O4
|
||||||||||||||||||
| Molecular Weight |
590.769
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)[C@@H](C)c1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H46N6O4/c1-8-43-28-14-13-23(21-37(6)7)19-27(28)35-30(40)29(22(2)25-20-34-26-12-10-9-11-24(25)26)36-32(42)39-17-15-38(16-18-39)31(41)33(3,4)5/h9-14,19-20,22,29,34H,8,15-18,21H2,1-7H3,(H,35,40)(H,36,42)/t22-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXUCBMHZFOOEJW-PZGXJGMVSA-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