COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012074
Chemical Name: 10-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)CSc1nc4c(s1)cccc4)cccc3)CC(CC2=O)(C)C

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Molecular Weight: 555.72
Empirical Formula: C31H29N3O3S2

Physical State: Dry powder
Available Amount: 738 mg

Lipinsky:
logP: 6.874
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 6

     

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