NESS-0327

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H23Cl3N4O
Molecular Weight	489.825
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=C(N2N=C(C(=O)NN3CCCCC3)C4=C2C5=CC=C(Cl)C=C5CCC4)C(Cl)=C1

InChI

InChIKey=NCXBPZJQQSNIRA-UHFFFAOYSA-N

InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)

HIDE SMILES / InChI

Molecular Formula	C24H23Cl3N4O
Molecular Weight	489.825
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cannabinoid CB2 receptor 71 Target ID: CHEMBL253 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18512901	Antagonist 2778		20.0 nM [Ki]
Cannabinoid CB1 receptor 85 Target ID: CHEMBL218 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18512901	Antagonist 2778		18.4 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:05:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:11 GMT 2023`
Record UNII	X1BQI2J97I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NESS-0327

Common Name

English

BENZO(6,7)CYCLOHEPTA(1,2-C)PYRAZOLE-3-CARBOXAMIDE, 8-CHLORO-1-(2,4-DICHLOROPHENYL)-1,4,5,6-TETRAHYDRO-N-1-PIPERIDINYL-

Systematic Name

English

N-(PIPERIDIN-1-YL)-8-CHLORO-1-(2',4'-DICHLOROPHENYL)-1,4,5,6-TETRAHYDROBENZO(6,7)CYCLOHEPTA(1,2-C)PYRAZOLE-3-CARBOXAMIDE

Systematic Name

English

Classification Tree Code System Code

WIKIPEDIA

Designer-drugs-NESS-0327