COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK626377
Chemical Name: (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/2\CC(Sc3c(N2)cccc3)c2cccc(c2)O)/C1=O)O

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Molecular Weight: 491.95
Empirical Formula: C25H18ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.861
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 127
Number of rings: 5

     

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