General Information of the Compound
| Compound ID |
CP0037815
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| Compound Name |
3-(5-Methoxy-1H-inden-2-yl)pyridine
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| Synonyms |
3-(5-methoxy-1H-inden-2-yl)pyridine
AC1O70H7
BDBM8890
CHEMBL206300
indene 3
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| Structure |
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| Formula |
C15H13NO
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| Molecular Weight |
223.275
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| Canonical SMILES |
COc1ccc2CC(=Cc2c1)c1cccnc1
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| InChI |
InChI=1S/C15H13NO/c1-17-15-5-4-11-7-13(8-14(11)9-15)12-3-2-6-16-10-12/h2-6,8-10H,7H2,1H3
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| InChIKey |
KPJYOCDWGFDTFR-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