COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484178
Chemical Name: methyl4-(acetyloxy)-15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,7-methanoazacycloundecino[5,4-b]indol-3-ium-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidosperm
Smiles: COc1cc2N(C)C3C4(c2cc1C1(CC2C[NH+](CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1

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Molecular Weight: 812
Empirical Formula: C46H59N4O9

Available Amount: 0 mg

Lipinsky:
logP: 4.181
Rotatable bonds: 12
H-donors: 4
H-acceptors: 9
PSA: 155
Number of rings: 9

     

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