COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058572
Chemical Name: (1-{[(1-{2-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[3-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetate
Smiles: Clc1ccc2c(c1)nc(cc2)/C=C/c1ccccc1C(SCC1(CC1)CC(=O)[O-])CCc1cccc(c1)C(O)(C)C

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Saltdata: Na+
Molecular Weight: 585.19
Empirical Formula: C35H35ClNO3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 7.799
Rotatable bonds: 12
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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