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Compound Detail

CHEMBL3718782

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C#Cc1cc(Oc2cnc(NCCN3CCOCC3)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3718782
Phase Preclinical
Structure Type MOL
InChI Key XGJXGUOJMXCLTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.71
ALogP
8
HBA
2
HBD
94.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5O3
MW 411.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine