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Compound Detail

CHEMBL1189224

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COc1cc2nc(N3CCN(C(=O)/C=C/c4ccco4)CC3)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189224
Phase Preclinical
Structure Type MOL
InChI Key PAOLCNPCNXIFPD-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.18
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O4
MW 409.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine