General Information of the Compound
| Compound ID |
CP0558457
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[(2S)-8-amino-4-(3-methylbutyl)-2-(2-methylpropyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-7-yl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37N3O3
|
||||||||||||||||||
| Molecular Weight |
451.611
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-c1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N3O3/c1-6-33-27(32)20-9-7-19(8-10-20)22-14-21-16-30(12-11-17(2)3)26(31)25(13-18(4)5)29-24(21)15-23(22)28/h7-10,14-15,17-18,25,29H,6,11-13,16,28H2,1-5H3/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLORIPHSEJLQQF-VWLOTQADSA-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