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Compound Detail

CHEMBL6069120

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COc1cc(C(=O)NCCCOc2cccc([C@](O)(C(=O)OCC3CCN(CC4CC4)CC3)c3ccccc3)c2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

Basic Information

ChEMBL ID CHEMBL6069120
Phase Preclinical
Structure Type MOL
InChI Key MYPZCEVGYLOQEB-VONAPMJUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

837.0
MW (Da)
5.30
ALogP
11
HBA
6
HBD
182.7
PSA (Ų)
0.05
QED
4
Ro5 Violations
19
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H53FN4O9
MW 836.96
Aromatic Rings 5
Heavy Atoms 61
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine