General Information of the Compound
| Compound ID |
CP0455593
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| Compound Name |
2-chloro-5-[(4Z)-4-[[5-[4-chloro-3-[(2-chlorophenyl)methoxycarbonyl]phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C30H19Cl3N2O6
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| Molecular Weight |
609.849
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCc1ccccc1Cl)c1ccc(Cl)c(c1)C(O)=O
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| InChI |
InChI=1S/C30H19Cl3N2O6/c1-16-21(28(36)35(34-16)19-7-10-25(32)22(13-19)29(37)38)14-20-8-11-27(41-20)17-6-9-26(33)23(12-17)30(39)40-15-18-4-2-3-5-24(18)31/h2-14H,15H2,1H3,(H,37,38)/b21-14-
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| InChIKey |
HUFWBXZXBQJPLC-STZFKDTASA-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