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Compound Detail

CHEMBL6037309

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C[C@@H](COCc1nnn(C)n1)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1

Basic Information

ChEMBL ID CHEMBL6037309
Phase Preclinical
Structure Type MOL
InChI Key BGJDLKTYVVXXRM-FKBYEOEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

595.1
MW (Da)
3.97
ALogP
12
HBA
3
HBD
147.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39ClN10O2
MW 595.15
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine