COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078029
Chemical Name: 11-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C

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Molecular Weight: 501.59
Empirical Formula: C28H31N5O4

Physical State: Dry powder
Available Amount: 627 mg

Lipinsky:
logP: 4.595
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 5

     

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