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Compound Detail

CHEMBL1195513

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O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195513
Phase Preclinical
Structure Type MOL
InChI Key TWCNWISPABVKII-CBQRAPNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.7
MW (Da)
5.22
ALogP
5
HBA
1
HBD
46.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32NO3S2+
MW 482.69
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine