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Compound Detail

CHEMBL111436

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CCC(CC)CN1CCC(n2nnnc2CCCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111436
Phase Preclinical
Structure Type MOL
InChI Key CYWUPLTWMSITIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
4.23
ALogP
9
HBA
2
HBD
117.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N8O2
MW 492.63
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine