General Information of the Compound
| Compound ID |
CP0959837
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| Compound Name |
4-[(8-Hydroxy-quinolin-7-yl)-pyridin-2-yl-methyl]-piperazine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
CCOC(=O)N1CCN(C(c2ccccn2)c2ccc3cccnc3c2O)CC1
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| InChI |
InChI=1S/C22H24N4O3/c1-2-29-22(28)26-14-12-25(13-15-26)20(18-7-3-4-10-23-18)17-9-8-16-6-5-11-24-19(16)21(17)27/h3-11,20,27H,2,12-15H2,1H3
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| InChIKey |
NPJIYPKQNUZASJ-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