COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK660090
Chemical Name: (6-bromo-1H-indol-3-yl)[4-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)piperazin-1-yl]aceticacid
Smiles: CN(CCNC(=O)CN1CCN(CC1)C(c1c[nH]c2c1ccc(c2)Br)C(=O)O)C

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Molecular Weight: 466.38
Empirical Formula: C20H28BrN5O3

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 1.686
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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