MINNELIDE FREE SALT

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 15OP6DI2OA

Structure
InChI Key QROUIGQWVUTWFM-RWBWCDHPSA-N
Smile CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2OCOP(=O)(O)O
InChI
InChI=1S/C21H27O10P/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25)/t12-,13-,14-,15-,17+,18-,19-,20+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27O10P
Molecular Weight 470.41
AlogP 1.19
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 139.88
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 32.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3742465
FDA SRS 15OP6DI2OA
SureChEMBL SCHEMBL12447529
ZINC ZINC000072400677
CONTENTS