Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
3-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanyl(11C)benzonitrile
Molecular Identity
Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
3-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanyl(11C)benzonitrile
PubChem CID: 656408
2D Structure
Properties
C16H17N3S
Molecular Formula
282.40
Molecular Weight
g/mol
282.1258
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
78.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
349
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)NIsomeric SMILES
SMILES: CN([11CH3])CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)NSynonyms(16)
11c Dasb[11C]DASBDasb C-11296774-13-5Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-FJU46Q2BPU(11C)DASB11C-DASBUNII-FJU46Q2BPUCHEMBL5397494SCHEMBL29689760DTXSID6013191293-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylbenzonitrile[11C]N,N-Dimethyl-2-(2-amino-4-cyanophenylthio)benzylamine[11C]3-Amino-4-(2-dimethylaminomethylphenylsulfanyl)-benzonitrile
Data from PubChem (NCBI)
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Molecular Structure
Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
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Drug Network
Trials and conditions connected to Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
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