Brostallicin
4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
Molecular Identity
Brostallicin
4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID: 6918408
2D Structure
Properties
C30H35BrN12O5
Molecular Formula
723.60
Molecular Weight
g/mol
722.2037
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
230
TPSA
May have limited oral absorption
7
H-Bond Donors
6
H-Bond Acceptors
1280
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)BrIsomeric SMILES
SMILES: CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)BrSynonyms(20)
Brostallicin203258-60-0RPC6R41K4IbrostalicinabrostallicineDTXSID701742224-(2-Bromoacrylamido)-N'''-(2-guanidinoethyl)-1,1',1',1'''-tetramethyl-N,4':N',4':N',4'''-quater(pyrrole-2-carboxamide)brostallicinumRefChem:121675DTXCID10967134-(4-(4-(4-(2-bromoprop-2-enamido)-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-amido)-N-(2-((diaminomethylidene)amino)ethyl)-1-methyl-1H-pyrrole-2-carboxamideBrostallicin [INN]UNII-RPC6R41K4I4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamidePNU-166196A
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Brostallicin
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