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Compound Detail

CHEMBL5835899

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C[C@H](Cc1nnn[nH]1)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1

Basic Information

ChEMBL ID CHEMBL5835899
Phase Preclinical
Structure Type MOL
InChI Key WWPCYHCFELHUNY-VAMGGRTRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

551.1
MW (Da)
3.99
ALogP
10
HBA
4
HBD
149.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35ClN10O
MW 551.10
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine