COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042304
Chemical Name: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)NC2CCCCC2)NC(=C(C1c1ccco1)C(=O)/N=c\1/sc2c([nH]1)cccc2)C

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Molecular Weight: 533.68
Empirical Formula: C27H27N5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.208
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 170
Number of rings: 5

     

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