COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565614
Chemical Name: 1-[3-(4-fluorophenyl)-1-hydroxy-11-(3-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
Smiles: COc1cccc(c1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CSc1[nH]c3c(n1)cc(cc3)OC)cccc2)c1ccc(cc1)F

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Molecular Weight: 634.73
Empirical Formula: C36H31FN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.713
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 7

     

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