COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367896
Chemical Name: N-{(4Z)-4-[{4-[bis(2-hydroxyethyl)amino]-2-methylphenyl}(2-chlorophenyl)methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene}-2-hydroxy-N-(2-hydroxyethyl)ethanaminium
Smiles: OCC[N+](=C1C=C/C(=C(/c2ccccc2Cl)\c2ccc(cc2C)N(CCO)CCO)/C(=C1)C)CCO

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Saltdata: Cl-
Molecular Weight: 512.07
Empirical Formula: C29H36ClN2O4

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 14
H-donors: 4
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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