Lestaurtinib
(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Molecular Identity
Lestaurtinib
(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
PubChem CID: 126565
LSM-1231 is an indolocarbazole.
2D Structure
Properties
C26H21N3O4
Molecular Formula
439.50
Molecular Weight
g/mol
439.1532
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
88.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
886
Complexity
SMILES
Canonical SMILES
SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OIsomeric SMILES
SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OSynonyms(20)
Lestaurtinib111358-88-4CEP-701KT-5555CEP 701SPM-924KT5555SP924SP-924KT-555CEP701DTXSID5046778DO989GC5D1A-154475.0DTXCID3026778
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lestaurtinib
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