General Information of the Compound
| Compound ID |
CP0456002
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| Compound Name |
(4-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
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| Structure |
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| Formula |
C21H18N2O2
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| Molecular Weight |
330.387
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
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| InChI |
InChI=1S/C21H18N2O2/c1-25-19-7-4-15(5-8-19)21(24)23-12-10-17-13-16(6-9-20(17)23)18-3-2-11-22-14-18/h2-9,11,13-14H,10,12H2,1H3
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| InChIKey |
LWHUIRVPCRTFMW-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