General Information of the Compound
Compound ID
CP0920425
Compound Name
10-(2-chloro-6-fluorophenyl)-7-methyl-2,3,9,10-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-1(4H)-one
    Show/Hide
Structure
Formula
C19H16ClFN2O
Molecular Weight
342.801
Canonical SMILES
Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CCC1=O)N2
    Show/Hide
InChI
InChI=1S/C19H16ClFN2O/c1-10-5-6-13-15(9-10)23-19(17-11(20)3-2-4-12(17)21)18-14(22-13)7-8-16(18)24/h2-6,9,19,22-23H,7-8H2,1H3
    Show/Hide
InChIKey
HILJHBLCECGBDL-UHFFFAOYSA-N
Physicochemical Property
logP
4.98322
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 45272454
ChEMBL ID
CHEMBL563540
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: PT02963, Neuromedin-B receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS