COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448724
Chemical Name: (3E)-3-({2,5-dimethyl-1-[4-(morpholin-4-yl)-3-nitrophenyl]-1H-pyrrol-3-yl}methylidene)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Smiles: CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)C)/C1=O)S(=O)(=O)N1CCOCC1

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Molecular Weight: 621.71
Empirical Formula: C31H35N5O7S

Physical State: Dry powder
Available Amount: 7 mg

Lipinsky:
logP: 4.934
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 138
Number of rings: 6

     

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