Cerc 006
4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
Molecular Identity
Cerc 006
4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
PubChem CID: 135398516
4-[4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-cyclohexanecarboxylic acid is a member of indoles.
2D Structure
Properties
C21H22N6O3
Molecular Formula
406.40
Molecular Weight
g/mol
406.1753
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
131
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
630
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)NIsomeric SMILES
SMILES: COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)NSynonyms(20)
CERC 006RefChem:200112OSI-027936890-98-1OSI027OSI 027CERC006AEVI-006CERC-006ASP7486ASP-7486trans-4-(4-Amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl)cyclohexanecarboxylic acid25MKH1SZ0MCHEMBL2132692ASP 7486
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cerc 006
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