COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416173
Chemical Name: 6-tert-butyl-2-{[(E)-{2-hydroxy-3-nitro-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 517.69
Empirical Formula: C30H35N3O3S

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 9.973
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 7

     

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