COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583394
Chemical Name: (3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-3'-(1H-indol-3-ylmethyl)-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: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

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Molecular Weight: 551.52
Empirical Formula: C29H21N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.278
Rotatable bonds: 2
H-donors: 3
H-acceptors: 7
PSA: 158
Number of rings: 8

     

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