General Information of the Compound
| Compound ID |
CP0092136
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| Compound Name |
(7-Chloro-quinolin-4-yl)-(3-piperidin-1-yl-propyl)-amine; Oxalic acid
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| Structure |
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| Formula |
C17H22ClN3
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| Molecular Weight |
303.837
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| Canonical SMILES |
Clc1ccc2c(NCCCN3CCCCC3)ccnc2c1
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| InChI |
InChI=1S/C17H22ClN3/c18-14-5-6-15-16(7-9-20-17(15)13-14)19-8-4-12-21-10-2-1-3-11-21/h5-7,9,13H,1-4,8,10-12H2,(H,19,20)
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| InChIKey |
XFJHUZRGYVDSES-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