COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673943
Chemical Name: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2)c1sc2c(c1C#N)CCCCC2

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Molecular Weight: 530.65
Empirical Formula: C29H30N4O4S

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 3.125
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 149
Number of rings: 5

     

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