COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741982
Chemical Name: N-(3-chlorophenyl)-4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Smiles: Clc1cccc(c1)NC(=S)N1CCN(CC1)CCNC=C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 449.02
Empirical Formula: C22H29ClN4O2S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.317
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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