General Information of the Compound
| Compound ID |
CP0383599
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| Compound Name |
2-(5-chlorothiophen-2-yl)-5-(imidazol-1-ylmethyl)pyridine
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| Structure |
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| Formula |
C13H10ClN3S
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| Molecular Weight |
275.764
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| Canonical SMILES |
Clc1ccc(s1)-c1ccc(Cn2ccnc2)cn1
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| InChI |
InChI=1S/C13H10ClN3S/c14-13-4-3-12(18-13)11-2-1-10(7-16-11)8-17-6-5-15-9-17/h1-7,9H,8H2
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| InChIKey |
FDAVPEDTGURGBQ-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