General Information of the Compound
| Compound ID |
CP0501674
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| Compound Name |
9-Chloro-3-methyl-5-{3-[(3,4,5-trimethoxy-benzylamino)-methyl]-phenyl}-5H-isoxazolo[4,3-c]quinolin-4-one
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| Structure |
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| Formula |
C28H26ClN3O5
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| Molecular Weight |
519.985
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| Canonical SMILES |
COc1cc(CNCc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C28H26ClN3O5/c1-16-24-26(31-37-16)25-20(29)9-6-10-21(25)32(28(24)33)19-8-5-7-17(11-19)14-30-15-18-12-22(34-2)27(36-4)23(13-18)35-3/h5-13,30H,14-15H2,1-4H3
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| InChIKey |
NUHIHCNVIKXCOA-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