COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528439
Chemical Name: (10E)-7-(acetylamino)-1,2,3-trimethoxy-10-{[3-(4-methylpiperazin-1-yl)propyl]iminio}-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Smiles: COc1c2c(CCC(c3c2cc/c(=[NH+]\CCCN2CCN(CC2)C)/c(c3)[O-])NC(=O)C)cc(c1OC)OC

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Molecular Weight: 524.66
Empirical Formula: C29H40N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.969
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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