COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630191
Chemical Name: methyl5-({[5-cyano-3,3-dimethyl-8-(piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1nc(N2CCNCC2)c2c(c1C#N)CC(OC2)(C)C

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Saltdata: (COOH)2
Molecular Weight: 442.54
Empirical Formula: C22H26N4O4S

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 2.333
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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