COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135518
Chemical Name: 10-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-(4-methoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC2=C(C(=O)C1)C(c1cccs1)N(c1c(N2)cccc1)C(=O)CSc1nc2c(s1)cccc2

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Molecular Weight: 609.79
Empirical Formula: C33H27N3O3S3

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 7.184
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 153
Number of rings: 7

     

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