General Information of the Compound
Compound ID
CP0363065
Compound Name
N-(4-chlorophenyl)-3-ethyl-1,3-dimethyl-2,5-dioxo-4H-1,4-benzodiazepine-7-sulfonamide
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Structure
Formula
C19H20ClN3O4S
Molecular Weight
421.906
Canonical SMILES
CCC1(C)NC(=O)c2cc(ccc2N(C)C1=O)S(=O)(=O)Nc1ccc(Cl)cc1
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InChI
InChI=1S/C19H20ClN3O4S/c1-4-19(2)18(25)23(3)16-10-9-14(11-15(16)17(24)21-19)28(26,27)22-13-7-5-12(20)6-8-13/h5-11,22H,4H2,1-3H3,(H,21,24)
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InChIKey
BWADCEZQHAZYFA-UHFFFAOYSA-N
Physicochemical Property
logP
3.0157
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
95.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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).

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PubChem ID
CID: 71603211
SID: 163684513
ChEMBL ID
CHEMBL2376312
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: PT02536, Diacylglycerol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
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   LI
   LO
   TS