General Information of the Compound
| Compound ID |
CP0566879
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| Compound Name |
7-[4-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
O=C1CCc2ccc(OCCCCNCC3CC3c3cccc4OCCOc34)cc2N1
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| InChI |
InChI=1S/C25H30N2O4/c28-24-9-7-17-6-8-19(15-22(17)27-24)29-11-2-1-10-26-16-18-14-21(18)20-4-3-5-23-25(20)31-13-12-30-23/h3-6,8,15,18,21,26H,1-2,7,9-14,16H2,(H,27,28)
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| InChIKey |
FVLJNPGRJXOJPX-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