COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK935724
Chemical Name: 1-(2-chloro-9H-purin-6-yl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]piperidine-4-carboxamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)C2CCN(CC2)c2nc(Cl)nc3c2nc[nH]3)/s1)C

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Molecular Weight: 420.93
Empirical Formula: C17H21ClN8OS

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.959
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 136
Number of rings: 4

     

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