General Information of the Compound
| Compound ID |
CP0574597
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| Compound Name |
4-[(4Z)-4-[[5-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C30H22FN3O5
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| Molecular Weight |
523.52
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C30H22FN3O5/c1-18-26(29(36)34(33-18)24-12-8-22(9-13-24)30(37)38)16-25-14-15-27(39-25)20-4-6-21(7-5-20)28(35)32-17-19-2-10-23(31)11-3-19/h2-16H,17H2,1H3,(H,32,35)(H,37,38)/b26-16-
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| InChIKey |
GGYWBVUSBNEKNK-QQXSKIMKSA-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