General Information of the Compound
| Compound ID |
CP0457961
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| Compound Name |
2-(1-adamantyl)-N-[2-[4-(hydroxymethyl)phenyl]quinolin-5-yl]acetamide
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| Structure |
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
OCc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
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| InChI |
InChI=1S/C28H30N2O2/c31-17-18-4-6-22(7-5-18)24-9-8-23-25(29-24)2-1-3-26(23)30-27(32)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h1-9,19-21,31H,10-17H2,(H,30,32)
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| InChIKey |
PMZGGKOETSVBSK-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