General Information of the Compound
| Compound ID |
CP0440383
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| Compound Name |
N-[3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C19H22N2O2S2
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| Molecular Weight |
374.531
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| Canonical SMILES |
O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)c1cccs1
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| InChI |
InChI=1S/C19H22N2O2S2/c22-17(15-9-6-12-24-15)20-18-16(13-7-2-3-8-14(13)25-18)19(23)21-10-4-1-5-11-21/h6,9,12H,1-5,7-8,10-11H2,(H,20,22)
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| InChIKey |
WIXNQNFGDJBZPC-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