U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C16H15N5
Molecular Weight 277.3238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAPI

SMILES

NC(=N)C1=CC=C(C=C1)C2=CC3=C(N2)C=C(C=C3)C(N)=N

InChI

InChIKey=FWBHETKCLVMNFS-UHFFFAOYSA-N
InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)

HIDE SMILES / InChI

Molecular Formula C16H15N5
Molecular Weight 277.3238
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
0.86 µM [IC50]
0.017 µM [IC50]
0.003 µM [IC50]
Substance Class Chemical
Record UNII
K9W25Z7ROH
Record Status Validated (UNII)
Record Version