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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 of NESS-0327

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
20.0 nM [Ki]
18.4 nM [Ki]
Substance Class Chemical
Record UNII
X1BQI2J97I
Record Status Validated (UNII)
Record Version