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Compound Detail

CHEMBL1189115

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CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1cccc(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189115
Phase Preclinical
Structure Type MOL
InChI Key VSCAXFHHZFYAIN-LOSJGSFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
3.67
ALogP
4
HBA
2
HBD
69.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N3O2
MW 429.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine