Bemcentinib
1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine
Molecular Identity
Bemcentinib
1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine
PubChem CID: 46215462
2D Structure
Properties
C30H34N8
Molecular Formula
506.60
Molecular Weight
g/mol
506.2906
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
97.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: C1CCN(C1)C2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76Isomeric SMILES
SMILES: C1CCN(C1)[C@H]2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76Synonyms(20)
Bemcentinib1037624-75-1R428BGB-324BGB324R-428CS-10460ICW2LX8ASHY-15150QC-11751BGB 324SYN-1131W-5845KB-80319DTXSID70673109
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bemcentinib
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