General Information of the Compound
| Compound ID |
CP0400825
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| Compound Name |
3-Hexyl-2-phenyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide
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| Structure |
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| Formula |
C31H34N2O
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| Molecular Weight |
450.626
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| Canonical SMILES |
CCCCCCc1c(nc2ccccc2c1C(=O)NC(CC)c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C31H34N2O/c1-3-5-6-13-21-26-29(31(34)33-27(4-2)23-16-9-7-10-17-23)25-20-14-15-22-28(25)32-30(26)24-18-11-8-12-19-24/h7-12,14-20,22,27H,3-6,13,21H2,1-2H3,(H,33,34)
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| InChIKey |
ORCKNPMHBCNZJT-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