COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587676
Chemical Name: 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2cc3OCOc3cc2Cl)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

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Molecular Weight: 509.03
Empirical Formula: C27H25ClN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.828
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 5

     

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