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Compound Detail

CHEMBL1195225

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COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)NCCC(=N)N)n(C)c1)N=C[C@@H]1CCCN1C2=O

Basic Information

ChEMBL ID CHEMBL1195225
Phase Preclinical
Structure Type MOL
InChI Key XXFIRANJKLETMU-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
1.82
ALogP
8
HBA
4
HBD
164.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N7O5
MW 509.57
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine