COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK912897
Chemical Name: 5-chloro-N-(3-cyano-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-2-[(3-methylbenzyl)sulfanyl]pyrimidine-4-carboxamide
Smiles: N#CC1=C(SC2C1CCCC2)NC(=O)c1nc(SCc2cccc(c2)C)ncc1Cl

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Molecular Weight: 457.02
Empirical Formula: C22H21ClN4OS2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.868
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 129
Number of rings: 4

     

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