General Information of the Compound
| Compound ID |
CP0539072
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| Compound Name |
2-cyclohexyl-N-[1-[3-(6-fluoropyridin-3-yl)propanoyl]piperidin-4-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C27H34FN3O2
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| Molecular Weight |
451.586
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| Canonical SMILES |
Fc1ccc(CCC(=O)N2CCC(CC2)NC(=O)C(C2CCCCC2)c2ccccc2)cn1
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| InChI |
InChI=1S/C27H34FN3O2/c28-24-13-11-20(19-29-24)12-14-25(32)31-17-15-23(16-18-31)30-27(33)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1,3-4,7-8,11,13,19,22-23,26H,2,5-6,9-10,12,14-18H2,(H,30,33)
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| InChIKey |
IFFJKARLWFETLS-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