COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051507
Chemical Name: 3-{(4E)-2-[(carboxymethyl)sulfanyl]-4-[(4-chlorophenyl)imino]-1,3-diazaspiro[4.5]dec-2-en-1-yl}benzoicacid
Smiles: OC(=O)CSC1=N/C(=N/c2ccc(cc2)Cl)/C2(N1c1cccc(c1)C(=O)O)CCCCC2

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Saltdata: HI
Molecular Weight: 471.96
Empirical Formula: C23H22ClN3O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.04
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 4

     

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