General Information of the Compound
| Compound ID |
CP0546175
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| Compound Name |
1-[2-[4-(2,8-dihydroxy-11-oxo-6H-chromeno[4,3-c]cinnolin-5-yl)-2-methylphenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
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| Structure |
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| Formula |
C30H27N3O7
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| Molecular Weight |
541.56
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| Canonical SMILES |
Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O
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| InChI |
InChI=1S/C30H27N3O7/c1-17-13-19(4-9-25(17)39-12-11-32-10-2-3-18(16-32)29(36)37)33-28-23-8-6-21(35)15-26(23)40-30(38)27(28)22-7-5-20(34)14-24(22)31-33/h3-9,13-15,31,34-35H,2,10-12,16H2,1H3,(H,36,37)
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| InChIKey |
SISSMRYZIKZMPG-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