VALNIVUDINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0NJ5F6D4U7

Structure
InChI Key FJRRWJMFUNGZBJ-RBVMOCNTSA-N
Smile CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1
InChI
InChI=1S/C27H35N3O6/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3/t20-,22+,23+,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H35N3O6
Molecular Weight 497.59
AlogP 3.56
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 129.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4300944
EPA CompTox DTXSID30241909
FDA SRS 0NJ5F6D4U7
PubChem 16063377
SureChEMBL SCHEMBL17709483
CONTENTS