COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551262
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-1H-pyrazol-5-ylmethioninamide
Smiles: CSCCC(C(=O)Nc1ccn[nH]1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 581.69
Empirical Formula: C29H35N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.14
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 168
Number of rings: 4

     

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