General Information of the Compound
| Compound ID |
CP0452804
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| Compound Name |
5-(1-acetyl-2,3-dihydroindol-5-yl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C16H13N3O
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| Molecular Weight |
263.3
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| Canonical SMILES |
CC(=O)N1CCc2cc(ccc12)-c1cncc(c1)C#N
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| InChI |
InChI=1S/C16H13N3O/c1-11(20)19-5-4-14-7-13(2-3-16(14)19)15-6-12(8-17)9-18-10-15/h2-3,6-7,9-10H,4-5H2,1H3
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| InChIKey |
ZNZQNZVYAMQQIR-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