COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484053
Chemical Name: 2-{2-[3-({[1-(carboxymethyl)cyclopropyl]methyl}sulfanyl)-3-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}propyl]phenyl}propan-2-olate
Smiles: OC(=O)CC1(CSC(c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(C)(C)[O-])CC1

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

Available Amount: 0 mg

Lipinsky:
logP: 7.799
Rotatable bonds: 13
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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