General Information of the Compound
| Compound ID |
CP0240446
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| Compound Name |
2H-Isoquinolin-1-one
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| Synonyms |
1(2H)-ISOQUINILONE
1(2H)-ISOQUINOLINONE
1(2H)-Isoquinolone
1,2-dihydroisoquinolin-1-one
1-Hydroxyisoquinoline
1-Isoquinolinol
1-hydroxyisoquinolin
1-isoquinolone
2H-Isoquinolin-1-one
489453-23-8
491-30-5
87602-67-3
95EG3HGG1P
CHEBI:18350
CHEMBL339695
EINECS 207-732-1
Isocarbostyril
Isocarbostyril(1-hydroxyisoquinoline)
Isocarbostyril, 98%
Isoquinolin-1(2H)-one
Isoquinolin-1-one
Isoquinolinone
NSC 27273
UNII-95EG3HGG1P
VDBNYAPERZTOOF-UHFFFAOYSA-N
isoquinolin-1-ol
isoquinolinol
oxidoisoquinolinium
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| Structure |
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| Formula |
C9H7NO
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| Molecular Weight |
145.161
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| Canonical SMILES |
O=c1[nH]ccc2ccccc12
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| InChI |
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
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| InChIKey |
VDBNYAPERZTOOF-UHFFFAOYSA-N
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| CAS |
491-30-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound