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Compound Detail

CHEMBL5969441

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C[C@H](COCc1nn[nH]n1)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1

Basic Information

ChEMBL ID CHEMBL5969441
Phase Preclinical
Structure Type MOL
InChI Key ZKIFEIPKGUHPFO-NJDAHSKKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

581.1
MW (Da)
3.96
ALogP
11
HBA
4
HBD
158.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37ClN10O2
MW 581.12
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine