General Information of the Compound
| Compound ID |
CP0445328
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| Compound Name |
5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine
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| Structure |
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| Formula |
C16H15N3S
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| Molecular Weight |
281.384
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| Canonical SMILES |
C1CC1C(c1ccc(nc1)-c1ccsc1)n1ccnc1
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| InChI |
InChI=1S/C16H15N3S/c1-2-12(1)16(19-7-6-17-11-19)13-3-4-15(18-9-13)14-5-8-20-10-14/h3-12,16H,1-2H2
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| InChIKey |
KIMDFMHBHQIIJZ-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