General Information of the Compound
| Compound ID |
CP0431590
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C20H20ClN3O2S
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| Molecular Weight |
401.919
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| Canonical SMILES |
COc1ccc(NC(=O)C2CCN(CC2)c2nccc3sccc23)cc1Cl
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| InChI |
InChI=1S/C20H20ClN3O2S/c1-26-17-3-2-14(12-16(17)21)23-20(25)13-5-9-24(10-6-13)19-15-7-11-27-18(15)4-8-22-19/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,25)
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| InChIKey |
HHSGPHVQIFGECU-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: PT03110, Mucosa-associated lymphoid tissue lymphoma translocation protein 1