Structure

InChI Key HYFMSAFINFJTFH-NGSRAFSJSA-N
Smile COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21
InChI
InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O6
Molecular Weight 349.34
AlogP -0.96
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 130.1
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 85412
ChEMBL CHEMBL298359
FDA SRS 87TMG6FJHV
PDB MQA
PubChem 19972
SureChEMBL SCHEMBL13033872
ZINC ZINC000038144766