COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528614
Chemical Name: 1,2,3,4,9,9-hexachloro-7-(dibutylcarbamoyl)-5-methyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalene-6-carboxylicacid
Smiles: CCCCN(C(=O)C1CC2C(C(C1C(=O)O)C)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl)CCCC

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Molecular Weight: 568.19
Empirical Formula: C22H29Cl6NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.585
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 57
Number of rings: 3

     

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