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Compound Detail

CHEMBL3039960

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O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL3039960
Phase Preclinical
Structure Type MOL
InChI Key KOJNFNUNONTHEO-VPRNDOHSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
2.37
ALogP
6
HBA
4
HBD
94.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N3O4
MW 501.63
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.79

Data from ChEMBL 36 via Core Engine