COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483728
Chemical Name: methyl15-[4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Smiles: CCC1=CC2CN(C1)Cc1c3ccccc3[nH]c1C(C2)(C(=O)OC)c1cc2c(cc1OC)N(C1C32CCN2C3C(CC)(C=CC2)C(C1(O)C(=O)OC)O)C

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Saltdata: HOOCCH(OH)CH(OH)COOH
Molecular Weight: 736.91
Empirical Formula: C43H52N4O7

Available Amount: 0 mg

Lipinsky:
logP: 5.182
Rotatable bonds: 10
H-donors: 3
H-acceptors: 7
PSA: 127
Number of rings: 9

     

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