General Information of the Compound
| Compound ID |
CP0433418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-3-ethyl-2-oxo-1-propylimidazolidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37F2N5O4
|
||||||||||||||||||
| Molecular Weight |
557.642
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37F2N5O4/c1-3-11-35-18-24(36(4-2)29(35)40)27(38)33-23(15-20-13-21(30)16-22(31)14-20)26(37)25-28(39)34(12-10-32-25)17-19-8-6-5-7-9-19/h5-9,13-14,16,23-26,32,37H,3-4,10-12,15,17-18H2,1-2H3,(H,33,38)/t23-,24?,25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAJCBEINSSNAMN-AWMNRUSDSA-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