COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000952
Chemical Name: tri-tert-butyl(2E,2'E,2''E)-2,2',2''-(1,3,5-triazinane-2,4,6-triylidene)tris(3-oxobutanoate)
Smiles: CC(=O)/C(=c\1/[nH]/c(=C(/C(=O)OC(C)(C)C)\C(=O)C)/[nH]/c(=C(/C(=O)OC(C)(C)C)\C(=O)C)/[nH]1)/C(=O)OC(C)(C)C

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Molecular Weight: 549.62
Empirical Formula: C27H39N3O9

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: -2.695
Rotatable bonds: 9
H-donors: 3
H-acceptors: 9
PSA: 166
Number of rings: 1

     

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