General Information of the Compound
| Compound ID |
CP0523635
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| Compound Name |
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H30N2O2S
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| Molecular Weight |
386.561
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CNC(=O)c2cccs2)CC1
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| InChI |
InChI=1S/C22H30N2O2S/c1-17(2)19-6-3-4-7-20(19)26-14-13-24-11-9-18(10-12-24)16-23-22(25)21-8-5-15-27-21/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,23,25)
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| InChIKey |
ODATXBLBRWUYKO-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