COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050501
Chemical Name: propan-2-yl6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3,5-dimethoxyphenyl)-4H-pyran-3-carboxylate
Smiles: COc1cc(OC)cc(c1)C1C(=C(CSc2nc3CCCCCc3cc2C#N)OC(=C1C#N)N)C(=O)OC(C)C

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Molecular Weight: 560.67
Empirical Formula: C30H32N4O5S

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 5.633
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 4

     

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