General Information of the Compound
| Compound ID |
CP0561321
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| Compound Name |
3-[(4Z)-4-[[5-[4-chloro-3-[(3-methoxyphenyl)carbamoyl]phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C30H22ClN3O6
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| Molecular Weight |
555.974
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| Canonical SMILES |
COc1cccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3cccc(c3)C(O)=O)o2)c1
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| InChI |
InChI=1S/C30H22ClN3O6/c1-17-24(29(36)34(33-17)21-7-3-5-19(13-21)30(37)38)16-23-10-12-27(40-23)18-9-11-26(31)25(14-18)28(35)32-20-6-4-8-22(15-20)39-2/h3-16H,1-2H3,(H,32,35)(H,37,38)/b24-16-
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| InChIKey |
WGVKQMSBFJFXON-JLPGSUDCSA-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