COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741804
Chemical Name: N-cyclopentyl-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: O=C1C=C(NCC2N(CCc3c2cccc3)C(=S)NC2CCCC2)CC(C1)(C)C

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Molecular Weight: 411.61
Empirical Formula: C24H33N3OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.108
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 76
Number of rings: 4

     

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