General Information of the Compound
| Compound ID |
CP0528422
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| Compound Name |
ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]quinoline-3-carboxylate
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| Formula |
C25H27N3O4
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| Molecular Weight |
433.508
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| Canonical SMILES |
CCOC(=O)c1cnc2c(OC)cccc2c1N1CC2(CN(C2)c2ccccc2OC)C1
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| InChI |
InChI=1S/C25H27N3O4/c1-4-32-24(29)18-12-26-22-17(8-7-11-21(22)31-3)23(18)28-15-25(16-28)13-27(14-25)19-9-5-6-10-20(19)30-2/h5-12H,4,13-16H2,1-3H3
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| InChIKey |
ROCKWKXOVASNPF-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