COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK940738
Chemical Name: 1-(2-chloro-9H-purin-6-yl)-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)c1nc(Cl)nc2c1nc[nH]2)/N=c/1\[nH]nc(s1)C

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Molecular Weight: 378.85
Empirical Formula: C14H15ClN8OS

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 0.549
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 136
Number of rings: 4

     

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