COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562271
Chemical Name: 4-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-5-ium-11-yl)-2-iodo-6-methoxyphenolate
Smiles: COc1cc(cc(c1[O-])I)C1Nc2ccccc2[NH+]=C2C1=C(O)CC(C2)(C)C

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Molecular Weight: 490.34
Empirical Formula: C22H23IN2O3

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.842
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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