General Information of the Compound
| Compound ID |
CP0430493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(3-benzyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)phenyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25N5O
|
||||||||||||||||||
| Molecular Weight |
459.553
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=Nc1ccc(cc1)N1c2ccccc2C(=NC(Cc2ccccc2)C1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25N5O/c30-29(31)32-22-15-17-23(18-16-22)34-26-14-8-7-13-24(26)27(21-11-5-2-6-12-21)33-25(28(34)35)19-20-9-3-1-4-10-20/h1-18,25H,19H2,(H4,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGTKYHWANOEDAW-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