COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052273
Chemical Name: 5-(3-acetyl-6-tert-butyl-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(c(cc1OC)[N+](=O)[O-])C1N(OC2C1C(=O)N(C2=O)C1=C(C(=O)C)C2C(S1)CC(CC2)C(C)(C)C)c1ccccc1

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Molecular Weight: 635.74
Empirical Formula: C33H37N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.033
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 156
Number of rings: 6

     

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