COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675938
Chemical Name: 2-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]-3-phenylquinazolin-4(3H)-one
Smiles: O=c1n(c2ccccc2)c(SCCN2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)nc2c1cccc2

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Molecular Weight: 555.58
Empirical Formula: C27H24F3N5O3S

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 7.435
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 5

     

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