COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474100
Chemical Name: propan-2-yl2-{[(2E)-2-cyano-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)/C(=O)Nc1sccc1C(=O)OC(C)C

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Molecular Weight: 495.52
Empirical Formula: C23H21N5O6S

Physical State: Dry powder
Available Amount: 431 mg

Lipinsky:
logP: 5.454
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 180
Number of rings: 3

     

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