COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL350889
Chemical Name: (4E)-4-({[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]amino}methylidene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/NCC(c2cccs2)N(C)C)/c2c(C1=O)cccc2

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Molecular Weight: 447.56
Empirical Formula: C25H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.237
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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