COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473400
Chemical Name: 3-[(1E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-en-1-yl]phenylthiophene-2-carboxylate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)c1cccs1)/C(=O)NC1CCCCCC1

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Molecular Weight: 394.49
Empirical Formula: C22H22N2O3S

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 4.7
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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