General Information of the Compound
Compound ID
CP0068060
Compound Name
(4R)-4-methyl-N-(1,3-oxazol-5-ylmethyl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
    Show/Hide
Structure
Formula
C15H16N4O3
Molecular Weight
300.318
Canonical SMILES
C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3cnco3)c2N1
    Show/Hide
InChI
InChI=1S/C15H16N4O3/c1-9-5-13(20)19-12-4-2-3-11(14(12)18-9)15(21)17-7-10-6-16-8-22-10/h2-4,6,8-9,18H,5,7H2,1H3,(H,17,21)(H,19,20)/t9-/m1/s1
    Show/Hide
InChIKey
JEBBTERGOBWNKM-SECBINFHSA-N
Physicochemical Property
logP
1.7472
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
96.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
22

"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
CID: 127049932
ChEMBL ID
CHEMBL3815086
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
Protein ID: PT02805, CREB-binding protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6500 nM