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Compound Detail

CHEMBL1206764

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CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL1206764
Phase Preclinical
Structure Type MOL
InChI Key BBASVKVVEFLJCU-JVKBCILWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

698.8
MW (Da)
4.29
ALogP
8
HBA
3
HBD
149.3
PSA (Ų)
0.15
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H42N8O4
MW 698.83
Aromatic Rings 6
Heavy Atoms 52
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine