General Information of the Compound
| Compound ID |
CP0963813
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| Compound Name |
(Z)-3-(4-((5-(4-Chloro-3-(cyclopropylcarbamoyl)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 |
C26H20ClN3O5
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| Molecular Weight |
489.915
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| Canonical SMILES |
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)o1
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| InChI |
InChI=1S/C26H20ClN3O5/c1-14-20(25(32)30(29-14)18-4-2-3-16(11-18)26(33)34)13-19-8-10-23(35-19)15-5-9-22(27)21(12-15)24(31)28-17-6-7-17/h2-5,8-13,17H,6-7H2,1H3,(H,28,31)(H,33,34)/b20-13-
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| InChIKey |
FTGAXIPXHKJAIV-MOSHPQCFSA-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