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Details

Stereochemistry ACHIRAL
Molecular Formula C16H15N5.2ClH
Molecular Weight 350.246
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAPI DIHYDROCHLORIDE

SMILES

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

InChI

InChIKey=FPNZBYLXNYPRLR-UHFFFAOYSA-N
InChI=1S/C16H15N5.2ClH/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);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
76BFW26YJO
Record Status Validated (UNII)
Record Version