DB-480

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Basic information

CAS: 242807-48-3
Standard SMILES: CC(C)N=C(N)c1ccc(-c2coc(-c3ccc(C(N)=NC(C)C)cc3)c2)cc1
InChIKey: PXHFLMJWHYPADA-UHFFFAOYSA-N
Molecular formula: C24H28N4O
Average molar mass: 388.5 g/mol
Monoisotopic mass: 388.22631153

Names & identifiers

Preferred name: DB-480
IUPAC: N'-propan-2-yl-4-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide

Names & synonyms

DB-480UNII-36ZJD8219O36ZJD8219OBenzenecarboximidamide, 4,4'-(2,4-furandiyl)bis(N-(1-methylethyl)-242807-48-3RefChem:200363SCHEMBL6751623CHEMBL1161728SCHEMBL30594482Q27256601N-isopropyl-4-[5-[4-(N-isopropylcarbamimidoyl)phenyl]-3-furyl]benzamidineC-(4-{5-[4-(Amino-isopropylamino-methyl)-phenyl]-furan-3-yl}-phenyl)-N'-sopropyl-methanediamine

Database identifiers

CAS: 242807-48-3
PubChem CID: 466440
ChEMBL: CHEMBL1161728
UNII: 36ZJD8219O
Nikkaji: J1.138.855H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 569

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Compound notes

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