General Information of the Compound
| Compound ID |
CP0535169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[4-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]-3-methylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N5O2
|
||||||||||||||||||
| Molecular Weight |
523.681
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(N)C(=O)Nc1ccc(cc1)N1c2ccccc2C(=NN(Cc2ccccc2)C1=O)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N5O2/c1-22(2)29(33)31(38)34-25-17-19-26(20-18-25)37-28-16-10-9-15-27(28)30(24-13-7-4-8-14-24)35-36(32(37)39)21-23-11-5-3-6-12-23/h3,5-6,9-12,15-20,22,24,29H,4,7-8,13-14,21,33H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGCRRRXBLPVENP-UHFFFAOYSA-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