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Compound Detail

CHEMBL5222648

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CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3[C@H](C#N)C[C@@H]4C[C@@H]43)cc2)c1OC

Basic Information

ChEMBL ID CHEMBL5222648
Phase Preclinical
Structure Type MOL
InChI Key UTRBMJDIGONTMK-WWEVIYMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

594.6
MW (Da)
3.32
ALogP
9
HBA
4
HBD
178.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N8O5
MW 594.63
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine