Molecules/(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aR)-4-(diethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular Identity
(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aR)-4-(diethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID: 162423126
2D Structure
Properties
C28H32F3N3O7
Molecular Formula
579.60
Molecular Weight
g/mol
579.2192
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
173
TPSA
May have limited oral absorption
6
H-Bond Donors
12
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)C1C2CC3CC4=C(C(=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)C5CCCN5)C(F)(F)FIsomeric SMILES
SMILES: CCN(CC)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)[C@@H]5CCCN5)C(F)(F)FSynonyms(10)
TP-60761575495-01-0(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide(4S,4aS,5aR,12aR)-4-(diethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide80Porb1739051GTPL13198HY-148182CS-0614940(4S,4aS,5aR,12aS)-4-(Diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-((S)-pyrrolidin-2-yl)-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Data from PubChem (NCBI)
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Molecular Structure
(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
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Drug Network
Trials and conditions connected to (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
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