General Information of the Compound
| Compound ID |
CP0168356
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| Compound Name |
(7-Chloro-quinolin-4-yl)-(5-piperidin-1-yl-pentyl)-amine; Oxalic acid
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| Structure |
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| Formula |
C19H26ClN3
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| Molecular Weight |
331.891
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| Canonical SMILES |
Clc1ccc2c(NCCCCCN3CCCCC3)ccnc2c1
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| InChI |
InChI=1S/C19H26ClN3/c20-16-7-8-17-18(9-11-22-19(17)15-16)21-10-3-1-4-12-23-13-5-2-6-14-23/h7-9,11,15H,1-6,10,12-14H2,(H,21,22)
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| InChIKey |
OYIDGNVXLKBYMS-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