General Information of the Compound
| Compound ID |
CP0527041
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| Compound Name |
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3,3-diphenylpropyl)piperidin-4-amine
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| Structure |
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| Formula |
C27H30ClFN2
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| Molecular Weight |
437.002
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CC1)NCCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H30ClFN2/c28-24-12-11-23(27(29)19-24)20-31-17-14-25(15-18-31)30-16-13-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,25-26,30H,13-18,20H2
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| InChIKey |
DPEPTMJCOMLASO-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