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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14N4O3
Molecular Weight 262.2646
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DEAZANEPLANOCIN

SMILES

NC1=NC=CC2=C1N=CN2[C@@H]3C=C(CO)[C@@H](O)[C@H]3O

InChI

InChIKey=OMKHWTRUYNAGFG-IEBDPFPHSA-N
InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H14N4O3
Molecular Weight 262.2646
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.08 µM [IC50]
50.0 pM [Ki]

PubMed

Substance Class Chemical
Record UNII
544SH4020S
Record Status Validated (UNII)
Record Version