General Information of the Compound
| Compound ID |
CP0320765
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| Compound Name |
(7-Chloro-quinolin-4-yl)-(7-piperidin-1-yl-heptyl)-amine; Oxalic acid
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| Structure |
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| Formula |
C21H30ClN3
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| Molecular Weight |
359.945
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| Canonical SMILES |
Clc1ccc2c(NCCCCCCCN3CCCCC3)ccnc2c1
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| InChI |
InChI=1S/C21H30ClN3/c22-18-9-10-19-20(11-13-24-21(19)17-18)23-12-5-2-1-3-6-14-25-15-7-4-8-16-25/h9-11,13,17H,1-8,12,14-16H2,(H,23,24)
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| InChIKey |
ZEDMMBOZJOBNAI-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