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Compound Detail

CHEMBL1183122

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NC[C@H]1O[C@@H](O[C@@H](CNCCCn2ccnc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183122
Phase Preclinical
Structure Type MOL
InChI Key FAIXRDJFKFBZMO-ZISSTWMGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
-3.15
ALogP
13
HBA
6
HBD
199.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N6O8
MW 496.52
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine