General Information of the Compound
| Compound ID |
CP0453911
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| Compound Name |
N-[1-[2-(2-phenylphenyl)sulfanylethyl]piperidin-4-yl]quinoline-2-carboxamide
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| Structure |
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| Formula |
C29H29N3OS
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| Molecular Weight |
467.638
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| Canonical SMILES |
O=C(NC1CCN(CCSc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C29H29N3OS/c33-29(27-15-14-23-10-4-6-12-26(23)31-27)30-24-16-18-32(19-17-24)20-21-34-28-13-7-5-11-25(28)22-8-2-1-3-9-22/h1-15,24H,16-21H2,(H,30,33)
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| InChIKey |
AEOMCRCZEAWQBH-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