COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673756
Chemical Name: ethyl(2S,4aR,6aS,6bR,9aS)-2-(acetyloxy)-6b-{(1Z)-1-[2-(ethoxycarbonyl)hydrazinylidene]ethyl}-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d][1,
Smiles: CCOC(=O)C1=NO[C@@]2([C@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CC[C@@H](C1)OC(=O)C)/C(=N\NC(=O)OCC)/C

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Molecular Weight: 557.69
Empirical Formula: C30H43N3O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.035
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 124
Number of rings: 5

     

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