COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001598
Chemical Name: methyl4-[(4S,4aR)-2-amino-1,3,3-tricyano-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulen-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C3CCC(N3C)C=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 399.45
Empirical Formula: C23H21N5O2

Physical State: Dry powder
Available Amount: 345 mg

Lipinsky:
logP: 2.748
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 4

     

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