Metastat
(4aS,5aR,12aR)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular Identity
Metastat
(4aS,5aR,12aR)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID: 54678924
2D Structure
Properties
C19H17NO7
Molecular Formula
371.30
Molecular Weight
g/mol
371.1005
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
158
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
813
Complexity
SMILES
Canonical SMILES
SMILES: C1C2CC3=C(C(=CC=C3)O)C(=C2C(=O)C4(C1CC(=O)C(=C4O)C(=O)N)O)OIsomeric SMILES
SMILES: C1[C@@H]2CC3=C(C(=CC=C3)O)C(=C2C(=O)[C@]4([C@@H]1CC(=O)C(=C4O)C(=O)N)O)OSynonyms(20)
MetastatRefChem:201637Incyclinide15866-90-7CMT-3COL-3(4aS,5aR,12aS)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamideCMT 3COL 3NSC 683551NSC-68355121G64WZQ4IMFCD09970644Incyclinide (USAN)INCYCLINIDE [USAN]
Data from PubChem (NCBI)
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