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Compound Detail

CHEMBL3039877

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CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2cc(F)ccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2

Basic Information

ChEMBL ID CHEMBL3039877
Phase Preclinical
Structure Type MOL
InChI Key WIKACCNWRBUOFC-MKBSXABLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

579.2
MW (Da)
3.07
ALogP
6
HBA
4
HBD
119.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44ClFN4O4
MW 579.16
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine