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Compound Detail

CHEMBL1184909

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C=CCNc1c(O)cc2nc3oc2c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C\3C

Basic Information

ChEMBL ID CHEMBL1184909
Phase Preclinical
Structure Type MOL
InChI Key AMSRVKNAPILVBD-WVARBVEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

569.7
MW (Da)
5.11
ALogP
9
HBA
4
HBD
149.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H43N3O7
MW 569.70
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 1.60

Data from ChEMBL 36 via Core Engine