General Information of the Compound
| Compound ID |
CP0346198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-pyridin-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22ClN5O3
|
||||||||||||||||||
| Molecular Weight |
511.969
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2c(NC(=O)[C@@H](Cc3cccnc3)N(Cc3ccc(cc3)C(=O)Nc3ccccn3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22ClN5O3/c29-21-10-11-22-23(15-21)32-27(36)24(14-19-4-3-12-30-16-19)34(28(22)37)17-18-6-8-20(9-7-18)26(35)33-25-5-1-2-13-31-25/h1-13,15-16,24H,14,17H2,(H,32,36)(H,31,33,35)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTFPOIZPDSNZLX-XMMPIXPASA-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