General Information of the Compound
| Compound ID |
CP0180656
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| Compound Name |
3,4,5-trimethoxybenzoic acid [5-chloro-7-(4-morpholinylmethyl)-8-quinolinyl] ester
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| Structure |
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| Formula |
C24H25ClN2O6
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| Molecular Weight |
472.925
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
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| InChI |
InChI=1S/C24H25ClN2O6/c1-29-19-12-15(13-20(30-2)23(19)31-3)24(28)33-22-16(14-27-7-9-32-10-8-27)11-18(25)17-5-4-6-26-21(17)22/h4-6,11-13H,7-10,14H2,1-3H3
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| InChIKey |
UAASMTARGUGDSH-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
Protein ID: PT06109, Geminin
Protein ID: PT06765, Hepcidin