COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178849
Chemical Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Smiles: N#Cc1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 474.63
Empirical Formula: C27H30N4O2S

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 5.823
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 113
Number of rings: 5

     

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