General Information of the Compound
| Compound ID |
CP0436217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-(4-amino-3,5-dibromophenyl)-1-[[(2R)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-1-oxopropan-2-yl]-4-phenylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43Br2N7O3
|
||||||||||||||||||
| Molecular Weight |
757.572
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43Br2N7O3/c35-27-21-25(22-28(36)32(27)38)23-30(40-31(44)11-6-9-24-7-2-1-3-8-24)33(45)41-29(10-4-5-14-37)34(46)43-19-17-42(18-20-43)26-12-15-39-16-13-26/h1-3,7-8,12-13,15-16,21-22,29-30H,4-6,9-11,14,17-20,23,37-38H2,(H,40,44)(H,41,45)/t29-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWTMDXFOYCONIX-IHLOFXLRSA-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