COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085766
Chemical Name: 3-(4-fluorophenyl)-10-{[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl}-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2c(N1C(=O)CSc1[nH]c3c(n1)ccc(c3)OC)cccc2

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Molecular Weight: 634.73
Empirical Formula: C36H31FN4O4S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 6.85
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 7

     

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