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Compound Detail

CHEMBL379477

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COC(=O)N[C@H](C(=O)NN(Cc1cccc(C#Cc2cccnc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C

Basic Information

ChEMBL ID CHEMBL379477
Phase Preclinical
Structure Type MOL
InChI Key SUUURVUXCMHQIE-DIKLSXIISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

703.8
MW (Da)
3.83
ALogP
8
HBA
5
HBD
153.1
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H45N5O6
MW 703.84
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness -0.24

Data from ChEMBL 36 via Core Engine