General Information of the Compound
| Compound ID |
CP0549506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-8-chloro-5-cyclohexyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33ClN4O
|
||||||||||||||||||
| Molecular Weight |
453.03
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33ClN4O/c1-17(2)24-26(32)31(21-11-9-20(10-12-21)29-15-14-28)23-16-19(27)8-13-22(23)25(30-24)18-6-4-3-5-7-18/h8-13,16-18,24,29H,3-7,14-15,28H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBJCALFYRONUIR-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