BRICICLIB SODIUM

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7C9N0VM8NR

Structure
InChI Key MIBWXNAYNGADJD-MIIBGCIDSA-L
Smile COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)([O-])[O-])c2)c(OC)c1.[Na+].[Na+]
InChI
InChI=1S/C19H23O10PS.2Na/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22;;/h5-11H,12H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b8-7+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21Na2O10PS
Molecular Weight 518.39
AlogP 2.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 137.82
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137303
FDA SRS 7C9N0VM8NR
PubChem 24754472
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