General Information of the Compound
| Compound ID |
CP0406586
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| Compound Name |
N-[3-(2-aminoquinolin-8-yl)oxypropyl]-3-cyanobenzamide
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| Structure |
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
Nc1ccc2cccc(OCCCNC(=O)c3cccc(c3)C#N)c2n1
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| InChI |
InChI=1S/C20H18N4O2/c21-13-14-4-1-6-16(12-14)20(25)23-10-3-11-26-17-7-2-5-15-8-9-18(22)24-19(15)17/h1-2,4-9,12H,3,10-11H2,(H2,22,24)(H,23,25)
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| InChIKey |
OOUVVUBNFWFWNF-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