COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548863
Chemical Name: 6,6'-{[2,5-bis(1H-benzotriazol-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diimino}dihexanoicacid
Smiles: OC(=O)CCCCCNC1=C(C(=O)C(=C(C1=O)n1nnc2c1cccc2)NCCCCCC(=O)O)n1nnc2c1cccc2

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Molecular Weight: 600.63
Empirical Formula: C30H32N8O6

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.108
Rotatable bonds: 14
H-donors: 4
H-acceptors: 6
PSA: 194
Number of rings: 5

     

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