COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525640
Chemical Name: (8Z,8'Z)-8,8'-bis[(abieta-8,11,13-trien-18-ylamino)methylidene]-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione
Smiles: CC(C1=C(O)C(=O)/C(=C\NCC2(C)CCCC3(C2CCc2c3ccc(c2)C(C)C)C)/c2c1cc(C)c(c2O)c1c(C)cc2c(c1O)/C(=C/NCC1(C)CCCC3(C1CCc1c3ccc(c1)C(C)C)C)/C(=O)C(=C2C(C)C)O)C

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Molecular Weight: 1053.48
Empirical Formula: C70H88N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 23.047
Rotatable bonds: 13
H-donors: 6
H-acceptors: 6
PSA: 139
Number of rings: 10

     

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