INARIGIVIR

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Synonyms
Status
Molecule Category Free-form
UNII TQ0A9FIV71

Structure

InChI Key LYMICVBGNUEHGE-FUQPUAIBSA-N
Smiles CO[C@@H]1[C@H](OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChI
InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N7O10PS
Molecular Weight 587.51
AlogP -1.05
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 228.16
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 39.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1084430
DrugBank DB15062
FDA SRS TQ0A9FIV71
PubChem 6912016
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