Carboxyamidotriazole
5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
Molecular Identity
Carboxyamidotriazole
5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID: 108144
2D Structure
Properties
C17H12Cl3N5O2
Molecular Formula
424.70
Molecular Weight
g/mol
423.0057
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
549
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)ClSynonyms(20)
Carboxyamidotriazole99519-84-3Carboxyamido-triazoleL651582NSC-6099744-CAI6ST3ZF52WBNSC 6099745-Amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-1H-1,2,3-triazole-4-carboxamideDTXSID402441081H-1,2,3-Triazole-4-carboxamide, 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-5-amino-1-{[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide5-AMINO-1-[[3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL]METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-RefChem:123656
Data from PubChem (NCBI)
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Trials and conditions connected to Carboxyamidotriazole
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