COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK447850
Chemical Name: (2E)-3-(2-chloro-6-fluorophenyl)-N-[3-({[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]prop-2-enamide
Smiles: O=C(NCC1(C)CC(NC(=O)/C=C/c2c(F)cccc2Cl)CC(C1)(C)C)/C=C/c1c(F)cccc1Cl

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Molecular Weight: 535.46
Empirical Formula: C28H30Cl2F2N2O2

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 5.894
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 58
Number of rings: 3

     

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