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Compound Detail

CHEMBL1193263

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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@]3(C)COC1C[C@H](N)[C@](C)(O)[C@H](C)O1

Basic Information

ChEMBL ID CHEMBL1193263
Phase Preclinical
Structure Type MOL
InChI Key GQUZVQDWDJCYTF-PMHVDYAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

792.8
MW (Da)
1.00
ALogP
15
HBA
7
HBD
267.8
PSA (Ų)
0.04
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H48N4O13
MW 792.84
Aromatic Rings 2
Heavy Atoms 57
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine