General Information of the Compound
| Compound ID |
CP0526945
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-3-(2-methoxyethyl)-8-methyl-1,3,4-benzotriazepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N6O2
|
||||||||||||||||||
| Molecular Weight |
500.647
|
||||||||||||||||||
| Canonical SMILES |
COCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N6O2/c1-21-8-13-25-26(20-21)35(24-11-9-23(10-12-24)30-15-14-27-31-16-17-32-27)29(36)34(18-19-37-2)33-28(25)22-6-4-3-5-7-22/h8-13,16-17,20,22,30H,3-7,14-15,18-19H2,1-2H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYWUHONUPUTNHO-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