General Information of the Compound
| Compound ID |
CP0692190
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| Compound Name |
2-(4-(3'-Fluoro-6,7,10-trimethoxy-a-naphthoflavonol)octyloxy)-2-oxoethanaminium Chloride
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| Structure |
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| Formula |
C32H37ClFNO11
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| Molecular Weight |
666.095
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| Canonical SMILES |
COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12.Cl
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| InChI |
InChI=1S/C32H36FNO11.ClH/c1-37-23-7-8-24(38-2)28-27(23)25(39-3)18-22-29(36)32(30(45-31(22)28)20-5-4-6-21(33)17-20)44-16-14-42-12-10-40-9-11-41-13-15-43-26(35)19-34;/h4-8,17-18H,9-16,19,34H2,1-3H3;1H
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| InChIKey |
SNDXIRASOZVVFN-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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