General Information of the Compound
| Compound ID |
CP0517731
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc4OCCOc4c3)c2c1
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| InChI |
InChI=1S/C26H31N3O3/c1-30-22-3-4-24-23(17-22)20(6-10-27-24)7-11-29-12-8-21(9-13-29)28-18-19-2-5-25-26(16-19)32-15-14-31-25/h2-6,10,16-17,21,28H,7-9,11-15,18H2,1H3
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| InChIKey |
JTFSUZSFJWDBFZ-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