COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379689
Chemical Name: 2-{[(E)-{2-hydroxy-3-nitro-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}methylidene]amino}-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2cc(cc(c2O)[N+](=O)[O-])C23C[C@@H]4C[C@H](C3)C[C@H](C2)C4)sc2c1C1CCN2CC1

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Molecular Weight: 488.61
Empirical Formula: C27H28N4O3S

Physical State: Dry powder
Available Amount: 586 mg

Lipinsky:
logP: 7.491
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 133
Number of rings: 9

     

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