General Information of the Compound
| Compound ID |
CP0434035
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| Compound Name |
2-(3-chlorophenyl)-2-cyclohex-2-en-1-yl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C27H32ClN3O2
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| Molecular Weight |
466.025
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| Canonical SMILES |
Clc1cccc(c1)C(C1CCCC=C1)C(=O)NC1CCN(CC1)C(=O)CCc1cccnc1
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| InChI |
InChI=1S/C27H32ClN3O2/c28-23-10-4-9-22(18-23)26(21-7-2-1-3-8-21)27(33)30-24-13-16-31(17-14-24)25(32)12-11-20-6-5-15-29-19-20/h2,4-7,9-10,15,18-19,21,24,26H,1,3,8,11-14,16-17H2,(H,30,33)
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| InChIKey |
QSFJQYMBIFILOF-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