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Compound Detail

CHEMBL5867532

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CC(C)NC(=O)c1ccc(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cn1

Basic Information

ChEMBL ID CHEMBL5867532
Phase Preclinical
Structure Type MOL
InChI Key YHVTXDOCQCAPTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
2.48
ALogP
8
HBA
2
HBD
128.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N9O
MW 441.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine