MIV-818

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q1I6YZ0NGF

Structure
InChI Key JBYKMODFCUCTGY-LLSQRQBFSA-N
Smile CCC[C@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1OC[C@@H](n2ccc(N)nc2=O)O1)Oc1ccc(Br)cc1
InChI
InChI=1S/C22H30BrN4O8P/c1-4-5-14(2)33-21(28)15(3)26-36(30,35-17-8-6-16(23)7-9-17)32-13-20-31-12-19(34-20)27-11-10-18(24)25-22(27)29/h6-11,14-15,19-20H,4-5,12-13H2,1-3H3,(H,26,30)(H2,24,25,29)/t14-,15-,19-,20-,36-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30BrN4O8P
Molecular Weight 589.38
AlogP 3.37
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 153.23
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Cross References

Resources Reference
ChEMBL CHEMBL4594349
FDA SRS Q1I6YZ0NGF
PubChem 141649565
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