General Information of the Compound
| Compound ID |
CP0327621
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-1-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C18H18ClFN2O
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| Molecular Weight |
332.806
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| Canonical SMILES |
Fc1ccc(NC(=O)C2CCN(CC2)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C18H18ClFN2O/c19-16-12-14(6-7-17(16)20)21-18(23)13-8-10-22(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,23)
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| InChIKey |
KTPPYJYRIASWLJ-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
Protein ID: PT03110, Mucosa-associated lymphoid tissue lymphoma translocation protein 1