General Information of the Compound
| Compound ID |
CP0478320
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| Compound Name |
2-(1-benzothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
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| Structure |
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| Formula |
C17H13N3S
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| Molecular Weight |
291.379
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| Canonical SMILES |
C(c1ccc(nc1)-c1cc2ccccc2s1)n1ccnc1
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| InChI |
InChI=1S/C17H13N3S/c1-2-4-16-14(3-1)9-17(21-16)15-6-5-13(10-19-15)11-20-8-7-18-12-20/h1-10,12H,11H2
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| InChIKey |
XDFGFMSHVHUFHW-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