COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550906
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}butanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)nc(n3C)CN2CCN(CC2)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 711.86
Empirical Formula: C39H49N7O6

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 1.48
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 139
Number of rings: 6

     

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