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Compound Detail

CHEMBL6056929

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CC(=O)N1CCC(N[C@@H]2C[C@@H]2c2cc(C(=O)NC3CCC(F)(F)CC3)cs2)CC1

Basic Information

ChEMBL ID CHEMBL6056929
Phase Preclinical
Structure Type MOL
InChI Key NQSJBSDHOHNDBO-ZWKOTPCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
3.51
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29F2N3O2S
MW 425.55
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine