COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527553
Chemical Name: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]cyclopropanecarboxamide
Smiles: ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cl

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Molecular Weight: 586.8
Empirical Formula: C22H25Cl5N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.433
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 4

     

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