General Information of the Compound
| Compound ID |
CP0423537
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| Compound Name |
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
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| Synonyms |
255895-87-5
5-(3-Pyridyl)-1-indanone
5-(pyridin-3-yl)-2,3-dihydroinden-1-one
5-Pyridin-3-yl-1-indanone
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
BDBM50273704
CHEMBL448743
CTK8E5276
QNSOPUXDEXJMIY-UHFFFAOYSA-N
SCHEMBL6205709
TX-011073
ZINC40829496
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| Structure |
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| Formula |
C14H11NO
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| Molecular Weight |
209.248
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| Canonical SMILES |
O=C1CCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2
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| InChIKey |
QNSOPUXDEXJMIY-UHFFFAOYSA-N
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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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Clinical Information about the Compound