VALTORCITABINE

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Synonyms
Status
Molecule Category Free-form
UNII D5YQG6AQXP

Structure

InChI Key VFCYZPOEGWLYRM-QCZKYFFMSA-N
Smiles CC(C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO
InChI
InChI=1S/C14H22N4O5/c1-7(2)12(16)13(20)23-8-5-11(22-9(8)6-19)18-4-3-10(15)17-14(18)21/h3-4,7-9,11-12,19H,5-6,16H2,1-2H3,(H2,15,17,21)/t8-,9+,11+,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N4O5
Molecular Weight 326.35
AlogP -1.0
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 142.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2106499
DrugBank DB06187
FDA SRS D5YQG6AQXP
PubChem 9927346
ZINC ZINC000056898743
CONTENTS