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Compound Detail

CHEMBL1192837

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CC(C(=O)N1CCN(C(C#N)c2cccnc2)CC1)(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1192837
Phase Preclinical
Structure Type MOL
InChI Key WJQBBJAVIZHRFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.80
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O
MW 410.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine