COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564631
Chemical Name: (2R,3R,4R,5R)-2-(((1S,6aR,7aS,9aR,10R,12R,13S,14aR,15aS)-1-hydroxy-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethyloctadecahydro-1H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxep
Smiles: OC1C(O)COC(C1O)OC1CC[C@]23C(C1(C)C)C[C@@H](C1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@@]13C2[C@H](C)C[C@@H](O1)C(O3)C(O)(C)C)C)O

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Molecular Weight: 620.82
Empirical Formula: C35H56O9

Available Amount: 0 mg

Lipinsky:
logP: 4.756
Rotatable bonds: 7
H-donors: 5
H-acceptors: 9
PSA: 138
Number of rings: 8

     

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