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Compound Detail

CHEMBL1183242

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CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCN(CC)Cc4ccc(O)cc4)cc3)[nH]c2n(CCC)c1=O

Basic Information

ChEMBL ID CHEMBL1183242
Phase Preclinical
Structure Type MOL
InChI Key POYSDKDOTHHYSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
3.10
ALogP
9
HBA
3
HBD
134.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N6O5
MW 562.67
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine