COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514690
Chemical Name: 11-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoicacid
Smiles: OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

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Molecular Weight: 608.78
Empirical Formula: C31H36N4O5S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.982
Rotatable bonds: 16
H-donors: 3
H-acceptors: 5
PSA: 179
Number of rings: 4

     

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