General Information of the Compound
| Compound ID |
CP0484604
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C33H44ClFN4O3
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| Molecular Weight |
599.191
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| Canonical SMILES |
CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C33H44ClFN4O3/c1-3-37(21-12-26-8-10-30(35)11-9-26)32(41)27-13-19-36(20-14-27)17-5-18-39(31-7-4-6-29(34)24-31)33(42)28-15-22-38(23-16-28)25(2)40/h4,6-11,24,27-28H,3,5,12-23H2,1-2H3
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| InChIKey |
JXQVGTZZOJURFI-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