General Information of the Compound
| Compound ID |
CP0944465
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| Compound Name |
(Z)-3-(4-((5-(4-Chloro-3-((tetrahydro-2H-pyran-4-yl)carbamoyl)-phenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic Acid
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| Structure |
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| Formula |
C28H24ClN3O6
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| Molecular Weight |
533.968
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| Canonical SMILES |
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)NC3CCOCC3)c2)o1
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| InChI |
InChI=1S/C28H24ClN3O6/c1-16-22(27(34)32(31-16)20-4-2-3-18(13-20)28(35)36)15-21-6-8-25(38-21)17-5-7-24(29)23(14-17)26(33)30-19-9-11-37-12-10-19/h2-8,13-15,19H,9-12H2,1H3,(H,30,33)(H,35,36)/b22-15-
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| InChIKey |
ZFJNLVFSIBBYMI-JCMHNJIXSA-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