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Compound Detail

CHEMBL6012538

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CCOC(=O)O[C@@H](C)n1nnc(COC[C@@H](C)N[C@H]2CC[C@H](Nc3cc(-c4cccc(NCC5(C#N)CCOCC5)n4)c(Cl)cn3)CC2)n1

Basic Information

ChEMBL ID CHEMBL6012538
Phase Preclinical
Structure Type MOL
InChI Key HQVRFXBZJOXOKH-ZFFYZDHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

697.2
MW (Da)
5.13
ALogP
15
HBA
3
HBD
183.2
PSA (Ų)
0.18
QED
3
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H45ClN10O5
MW 697.24
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine