General Information of the Compound
| Compound ID |
CP0455997
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| Compound Name |
2-phenyl-1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone
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| Structure |
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| Formula |
C21H18N2O
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| Molecular Weight |
314.388
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| Canonical SMILES |
O=C(Cc1ccccc1)N1CCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C21H18N2O/c24-21(13-16-5-2-1-3-6-16)23-12-10-18-14-17(8-9-20(18)23)19-7-4-11-22-15-19/h1-9,11,14-15H,10,12-13H2
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| InChIKey |
CDMLOXJQTHQYGO-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