General Information of the Compound
Compound ID
CP0049010
Compound Name
4 -chlorodiazepam
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Synonyms
14439-61-3
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-
2QW0IK1742
4 inverted exclamation marka-Chlorodiazepam
4'-Chlorodiazepam
4-Chlorodiazepam
7-Chloro-1,3-dihydro-1-methyl-5-(p-chlorophenyl)-2H-1,4-benzodiazepin-2-one
7-Chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
BRN 0685202
Benzodiazepine derivative 1
CHEMBL286346
HSDB 6958
MLS000069627
NB-3040
PMID27607364-Compound-3
RO5-4864
Ro 5-4864
Ro-05-4864
Ro-5-4864
SMR000058205
UNII-2QW0IK1742
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Structure
Formula
C16H12Cl2N2O
Molecular Weight
319.191
Canonical SMILES
CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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InChIKey
PUMYFTJOWAJIKF-UHFFFAOYSA-N
CAS
14439-61-3
Physicochemical Property
logP
3.8072
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
32.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 1688
SID: 15396253
ChEMBL ID
CHEMBL286346
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ro 5-4864 )
Drug Name Ro 5-4864
Indication
Gram-positive bacterial infection
Investigative
Target(s)
Polypeptide deformylase (PDF)
 Target Info 
Inhibitor
Translocator protein (TSPO)
 Target Info 
Binder
Drug 2 ( Benzodiazepine derivative 1 )
Drug Name Benzodiazepine derivative 1
Company COCENSYS, INC
Target(s)
Translocator protein (TSPO)
 Target Info 
Ligand