FOSIFLOXURIDINE NAFALBENAMIDE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4YO6QT3SZ9

Structure
InChI Key BIOWRMNRHMERIO-ZVAHOJSLSA-N
Smile C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
InChI
InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H29FN3O9P
Molecular Weight 613.54
AlogP 3.4
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 158.18
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 43.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2181367
DrugBank DB14859
FDA SRS 4YO6QT3SZ9
PubChem 53373585
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