COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007536
Chemical Name: 2-hydroxyethane-1,1,2-tricarboxylicacid-4-[(5s,7s)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl]phenol(1:1)
Smiles: OC(=O)C(C(C(=O)O)O)C(=O)O.Oc1ccc(cc1)C1N2C[C@]3(CN1C[C@@](C2)(C3)C)C

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Saltdata: CH(COOH)3, H2O
Molecular Weight: 436.46
Empirical Formula: C21H28N2O8

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 5
H-acceptors: 8
PSA: 158
Number of rings: 5

     

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