COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211136
Chemical Name: (2E)-N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-3-(4-chlorophenyl)prop-2-enamide
Smiles: O=C(/N=C(/Nc1nc(C)cc(n1)C)\NCCc1c[nH]c2c1cc(Cl)cc2)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 507.42
Empirical Formula: C26H24Cl2N6O

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 6.242
Rotatable bonds: 4
H-donors: 3
H-acceptors: 1
PSA: 95
Number of rings: 4

     

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