General Information of the Compound
| Compound ID |
CP0447402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Bromo-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41BrN8O4
|
||||||||||||||||||
| Molecular Weight |
657.614
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cncc(Br)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41BrN8O4/c31-22-16-21(17-35-18-22)27(41)39-25(15-20-10-5-2-6-11-20)29(43)37-23(12-7-13-36-30(33)34)28(42)38-24(26(32)40)14-19-8-3-1-4-9-19/h1,3-4,8-9,16-18,20,23-25H,2,5-7,10-15H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,36)/t23-,24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQXKPURKGLZHIO-SDHOMARFSA-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