General Information of the Compound
| Compound ID |
CP0279643
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| Compound Name |
(7-Chloro-quinolin-4-yl)-{2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-ethyl}-amine; Oxalic acid
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| Structure |
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| Formula |
C25H30ClN3O
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| Molecular Weight |
423.988
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| Canonical SMILES |
Clc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
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| InChI |
InChI=1S/C25H30ClN3O/c26-21-7-10-23-24(12-14-28-25(23)19-21)27-13-11-20-5-8-22(9-6-20)30-18-4-17-29-15-2-1-3-16-29/h5-10,12,14,19H,1-4,11,13,15-18H2,(H,27,28)
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| InChIKey |
KFFMRYQMDWYABB-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