COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528467
Chemical Name: (10E)-7-(acetylamino)-10-[(2,2-dimethoxyethyl)(methyl)iminio]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: COC(C/[N+](=c/1\ccc2c(cc1[O-])C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)/C)OC

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Molecular Weight: 486.57
Empirical Formula: C26H34N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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