Molecules/(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
(1S,13S,15S)-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-22-one
Molecular Identity
(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
(1S,13S,15S)-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-22-one
PubChem CID: 44562783
2D Structure
Properties
C21H25N3O
Molecular Formula
335.40
Molecular Weight
g/mol
335.1998
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
48.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
633
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2CC34CCCN3CC2(CC5=C1NC6=CC=CC=C56)NC4=O)CIsomeric SMILES
SMILES: CC1([C@@H]2C[C@]34CCCN3C[C@@]2(CC5=C1NC6=CC=CC=C56)NC4=O)CSynonyms(5)
(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-OnePM7premalbrancheamide ECHEMBL461324SCHEMBL31134669
Data from PubChem (NCBI)
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Molecular Structure
(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
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Drug Network
Trials and conditions connected to (5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
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