COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538352
Chemical Name: (3alpha,5beta,7alpha,8xi,12alpha)-24-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,7,12-trihydroxycholan-24-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C

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Molecular Weight: 583.81
Empirical Formula: C35H53NO6

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.252
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 99
Number of rings: 6

     

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