General Information of the Compound
| Compound ID |
CP0468733
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| Compound Name |
2-chloro-5-[(4Z)-4-[[5-(4-chloro-3-phenylmethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C30H20Cl2N2O6
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| Molecular Weight |
575.404
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCc1ccccc1)c1ccc(Cl)c(c1)C(O)=O
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| InChI |
InChI=1S/C30H20Cl2N2O6/c1-17-22(28(35)34(33-17)20-8-11-25(31)23(14-20)29(36)37)15-21-9-12-27(40-21)19-7-10-26(32)24(13-19)30(38)39-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,36,37)/b22-15-
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| InChIKey |
NBLAUAARKKILFA-JCMHNJIXSA-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