Semapimod
N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
Molecular Identity
Semapimod
N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
PubChem CID: 5745214
2D Structure
Properties
C34H52N18O2
Molecular Formula
744.90
Molecular Weight
g/mol
744.4521
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
365
TPSA
May have limited oral absorption
10
H-Bond Donors
10
H-Bond Acceptors
1290
Complexity
SMILES
Canonical SMILES
SMILES: CC(=NN=C(N)N)C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)C(=NN=C(N)N)C)C(=NN=C(N)N)C)C(=NN=C(N)N)CIsomeric SMILES
SMILES: C/C(=N\N=C(N)N)/C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/CSynonyms(20)
Semapimod352513-83-8CNI-14939SGW2H1K8PCPSI-2364 FREE BASEAXD455CPSI 2364N,N'-Bis(3,5-bis(1-(carbamimidoylhydrazono)ethyl)phenyl)decanediamidesemapimodumN,N'-Bis{3,5-bis(1-(carbamimidoylhydrazono)ethyl)phenyl}decanediamideRefChem:182336CPSI2364N,N'-bis((3,5-bis((1E)-1-(carbamimidamidoimino)ethyl)phenyl))decanediamideSemapimod [INN]N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Semapimod
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