General Information of the Compound
| Compound ID |
CP0420128
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| Compound Name |
8-[1-(1,3-benzodioxol-5-yl)pyrrolidin-3-yl]oxy-N,N-dimethylquinolin-2-amine
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CN(C)c1ccc2cccc(OC3CCN(C3)c3ccc4OCOc4c3)c2n1
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| InChI |
InChI=1S/C22H23N3O3/c1-24(2)21-9-6-15-4-3-5-19(22(15)23-21)28-17-10-11-25(13-17)16-7-8-18-20(12-16)27-14-26-18/h3-9,12,17H,10-11,13-14H2,1-2H3
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| InChIKey |
HXNOTTLXXWTHSE-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