General Information of the Compound
| Compound ID |
CP0413039
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| Compound Name |
4-[(4Z)-4-[[5-[4-chloro-3-[(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 |
C30H21ClFN3O5
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| Molecular Weight |
557.965
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCc1ccc(F)cc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C30H21ClFN3O5/c1-17-24(29(37)35(34-17)22-9-4-19(5-10-22)30(38)39)15-23-11-13-27(40-23)20-6-12-26(31)25(14-20)28(36)33-16-18-2-7-21(32)8-3-18/h2-15H,16H2,1H3,(H,33,36)(H,38,39)/b24-15-
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| InChIKey |
QQBWNFGCASGPDK-IWIPYMOSSA-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