Sf-1126
(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoate
Molecular Identity
Sf-1126
(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoate
PubChem CID: 66577114
2D Structure
Properties
C39H48N8O14
Molecular Formula
852.80
Molecular Weight
g/mol
852.3290
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
340
TPSA
May have limited oral absorption
8
H-Bond Donors
15
H-Bond Acceptors
1650
Complexity
SMILES
Canonical SMILES
SMILES: C1COCC[N+]1(COC(=O)CCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)[O-])C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4Isomeric SMILES
SMILES: C1COCC[N+]1(COC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)[O-])C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4Synonyms(18)
SF1126936487-67-1SF 1126SF-1126SF-1126 INNER SALTPAN-PI3K/MTOR INHIBITOR SF1126RefChem:182652DL0Q912033L-Serine, N2-(1,4-dioxo-4-((4-(4-oxo-8-phenyl-4H-1-benzopyran-2-yl)morpholinium-4-yl)methoxy)butyl)-L-arginylglycyl-L-alpha-aspartyl-, inner salt(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoateCHEMBL2326966SCHEMBL15668089SCHEMBL29189754SCHEMBL29352219EX-A5997
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sf-1126
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