COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076072
Chemical Name: N-cyclohexyl-11-[4-(diethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Smiles: CCN(c1ccc(cc1)C1C2=C(Nc3c(N1C(=S)NC1CCCCC1)cccc3)CC(CC2=O)(C)C)CC

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Saltdata: BuOH
Molecular Weight: 530.78
Empirical Formula: C32H42N4OS

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 7.035
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 79
Number of rings: 5

     

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