Basic information
- CAS
133401-10-2- Standard SMILES
O=C1c2scnc2-c2nccc3c2c1nc1ccccc13- InChIKey
SABDUJMZZVLRAS-UHFFFAOYSA-N- Molecular formula
- C16H7N3OS
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.03098303
Overview
structure in first source
Names & identifiers
- Preferred name
- Kuanoniamine A
- IUPAC
- 4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),5,8,10,12(20),13,15,17-nonaen-2-one
- English name
- 9H-Pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one
- Molecular formula
- C16H7N3OS
- Molecular weight
- 289.31
Names & synonyms
Kuanoniamine A133401-10-24-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),5,8,10,12(20),13,15,17-nonaen-2-one4-thia-6,9,19-triazapentacyclo(10.7.1.03,7.08,20.013,18)icosa-1(19),3(7),5,8,10,12(20),13,15,17-nonaen-2-oneRefChem:9242649H-Pyrido(4,3,2-mn)thiazolo(4,5-b)acridin-9-one9H-pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-oneNSC6892979H-pyrido[4,3,2-mn][1,3]thiazolo[4,5-b]acridin-9-oneNeuro_000441orb2814907CHEMBL1981645
Show more names
DTXSID00928098NSC-689297NCI60_0321751H-Pyrido[4,2-mn]thiazolo[4,5-b]acridin-9-oneT2028051H-Pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-oneInChI=1/C16H7N3OS/c20-15-13-11-9(8-3-1-2-4-10(8)19-13)5-6-17-12(11)14-16(15)21-7-18-14/h1-7
Database identifiers
- CAS
133401-10-2- PubChem CID
- 390989
- DTXSID
DTXSID00928098- ChEMBL
CHEMBL1981645- Nikkaji
- J346.560H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 255 · 255-258 °C (decomp)(Solv: chloroform (67-66-3))
- Boiling point
- 619.1 · 619.1±40.0 °C(Predicted)
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- pka
- -1.84 · -1.84±0.20(Predicted)
Chemistry & industry
Applications
DescriptionKuanoniamine A is a potent growth inhibitor human tumor and a non-tumor cell lines
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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