COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL034026
Chemical Name: [1-({[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}methyl)cyclohexyl]aceticacid
Smiles: COc1cc2CCC(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC1(CCCCC1)CC(=O)O)NC(=O)C

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Molecular Weight: 538.64
Empirical Formula: C30H38N2O7

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: 2.523
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 123
Number of rings: 4

     

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