General Information of the Compound
| Compound ID |
CP0544369
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| Compound Name |
N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C30H31N3O2
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| Molecular Weight |
465.597
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| Canonical SMILES |
O=C(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C30H31N3O2/c34-30(28-15-14-25-10-4-6-12-27(25)32-28)31-22-23-16-18-33(19-17-23)20-21-35-29-13-7-5-11-26(29)24-8-2-1-3-9-24/h1-15,23H,16-22H2,(H,31,34)
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| InChIKey |
LUXFPHQVVHGATF-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