General Information of the Compound
| Compound ID |
CP0201374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[(3,5-dimethylphenyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N3O2
|
||||||||||||||||||
| Molecular Weight |
425.532
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N3O2/c1-18-12-19(2)14-20(13-18)16-29-27(32)25(30-26(31)21-8-4-3-5-9-21)15-22-17-28-24-11-7-6-10-23(22)24/h3-14,17,25,28H,15-16H2,1-2H3,(H,29,32)(H,30,31)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJCNGMGNKQCRJT-VWLOTQADSA-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