COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL197841
Chemical Name: methyl4-{(3aS,4R,9bR)-8-[(1E)-1-(2-{[(2-methylbenzyl)sulfanyl]acetyl}hydrazinylidene)ethyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)/C(=N/NC(=O)CSCc1ccccc1C)/C

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Molecular Weight: 539.7
Empirical Formula: C32H33N3O3S

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 6.093
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 105
Number of rings: 5

     

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