General Information of the Compound
| Compound ID |
CP0122423
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| Compound Name |
(4-Piperidin-1-yl-butyl)-quinolin-4-yl-amine; Oxalic acid
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| Structure |
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| Formula |
C18H25N3
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| Molecular Weight |
283.419
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| Canonical SMILES |
C(CCN1CCCCC1)CNc1ccnc2ccccc12
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| InChI |
InChI=1S/C18H25N3/c1-5-13-21(14-6-1)15-7-4-11-19-18-10-12-20-17-9-3-2-8-16(17)18/h2-3,8-10,12H,1,4-7,11,13-15H2,(H,19,20)
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| InChIKey |
XPGYGUPYXYKRIT-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