General Information of the Compound
| Compound ID |
CP0386005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-benzyl-5-oxo-1-phenyl-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6(5H)-yl)-N-isopropyl-N-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H31N5O2
|
||||||||||||||||||
| Molecular Weight |
541.655
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2ccccc2)C1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H31N5O2/c1-24(2)38(27-18-10-5-11-19-27)31(40)23-37-29-20-12-13-21-30(29)39-32(26-16-8-4-9-17-26)35-36-33(39)28(34(37)41)22-25-14-6-3-7-15-25/h3-21,24,28H,22-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCPGKOSMIKUZOP-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