COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565257
Chemical Name: trans-4-({[(3R)-3-(4-chlorophenyl)-4-(L-prolylamino)butanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@@H]1CCCN1)NC[C@@H]1CC[C@H](CC1)C(=O)O

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Saltdata: HCl
Molecular Weight: 449.98
Empirical Formula: C23H32ClN3O4

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 1.16
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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