COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531510
Chemical Name: (3a'S,6a'R)-5-chloro-3'-(3,4-dihydroxybenzyl)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3Cc3ccc(c(c3)O)O)C(=O)Nc3c2cc(Cl)cc3)ccc1OC

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Molecular Weight: 578.02
Empirical Formula: C30H28ClN3O7

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 137
Number of rings: 6

     

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