U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H26FN7O
Molecular Weight 507.5614
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LENRISPODUN

SMILES

CN1C2=N[C@@H]3CCC[C@@H]3N2C4=NN(CC5=CC=C(C=C5)C6=NC(F)=CC=C6)C(NC7=CC=CC=C7)=C4C1=O

InChI

InChIKey=BBIPVJCGIASXJB-PKTZIBPZSA-N
InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.4E-5 µM [Ki]
3.8E-4 µM [Ki]
3.7E-5 µM [Ki]
3.1 µM [Ki]
0.033 µM [Ki]