General Information of the Compound
| Compound ID |
CP0436223
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| Compound Name |
2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C25H33N3O2S
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| Molecular Weight |
439.625
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| Canonical SMILES |
O=C(CCc1cccnc1)N1CCC(CC1)NC(=O)C(C1CCCCC1)c1ccsc1
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| InChI |
InChI=1S/C25H33N3O2S/c29-23(9-8-19-5-4-13-26-17-19)28-14-10-22(11-15-28)27-25(30)24(21-12-16-31-18-21)20-6-2-1-3-7-20/h4-5,12-13,16-18,20,22,24H,1-3,6-11,14-15H2,(H,27,30)
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| InChIKey |
MDTOMNUAYIKKBL-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