Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C10AD03
UNII: GF99P6327K

Structure

InChI Key FUWFSXZKBMCSKF-ZASNTINBSA-N
Smile O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1
InChI
InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H24N4O10
Molecular Weight 600.54
AlogP 1.82
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 186.22
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 44.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135846
ChEMBL CHEMBL1697844
DrugBank DB13422
DrugCentral 1916
EPA CompTox DTXSID6023365
FDA SRS GF99P6327K
PubChem 25495
SureChEMBL SCHEMBL406596
ZINC ZINC000004217093