COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581628
Chemical Name: 2-{[3-(1,3-benzodioxol-5-ylamino)-2-oxopropyl]sulfanyl}-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)CNc2ccc3c(c2)OCO3)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

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Molecular Weight: 531.63
Empirical Formula: C29H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.461
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 138
Number of rings: 5

     

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