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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27N3O3.BrH
Molecular Weight 474.391
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAN-190 HYDROBROMIDE

SMILES

Br.COC1=C(C=CC=C1)N2CCN(CCCCN3C(=O)C4=CC=CC=C4C3=O)CC2

InChI

InChIKey=AXRUEPFPTQYHQD-UHFFFAOYSA-N
InChI=1S/C23H27N3O3.BrH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;/h2-5,8-11H,6-7,12-17H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
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

Molecular Formula C23H27N3O3
Molecular Weight 393.4788
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
0.58 nM [Ki]
0.8 nM [Ki]
62.0 nM [Ki]
60.0 nM [Ki]
Substance Class Chemical
Record UNII
919U0E9M3P
Record Status Validated (UNII)
Record Version