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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21N7O3
Molecular Weight 407.4258
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIFORADENANT

SMILES

CC1=CC=C(O1)C2=C3N=NN(CC4=CC=CC(CO[C@H]5CCOC5)=N4)C3=NC(N)=N2

InChI

InChIKey=KURQKNMKCGYWRJ-HNNXBMFYSA-N
InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H21N7O3
Molecular Weight 407.4258
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
8KFO2187CP
Record Status Validated (UNII)
Record Version