COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578546
Chemical Name: (3S,3'R,3a'R,6a'S)-3'-[(4-chlorophenyl)(hydroxy)methyl]-5'-(2-methoxyethyl)-5-nitro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2[C@@H](c2ccc(cc2)Cl)O)C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

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Molecular Weight: 500.9
Empirical Formula: C23H21ClN4O7

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.496
Rotatable bonds: 3
H-donors: 3
H-acceptors: 7
PSA: 153
Number of rings: 5

     

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