COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552648
Chemical Name: 4-hydroxy-5,20,31-trimethoxy-11,11,26,26-tetramethyl-2,18-dioxa-11,26-diazoniaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen
Smiles: COc1cc2CC[N+](C3c2cc1Oc1c(O)c(OC)cc2c1CC[N+](C2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)(C)C)(C)C

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Saltdata: 2 I-
Molecular Weight: 638.8
Empirical Formula: C39H46N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -2.196
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 66
Number of rings: 8

     

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