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Compound Detail

CHEMBL1374100

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CCCCCNc1nc(NCCCO)c(C#N)c2c1CN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1374100
Phase Preclinical
Structure Type MOL
InChI Key BTXROBZDLNQXQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
2.34
ALogP
6
HBA
3
HBD
84.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29N5O
MW 331.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine