General Information of the Compound
| Compound ID |
CP0574135
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| Compound Name |
2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[[5-(3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H21ClN2O6
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| Molecular Weight |
492.915
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| Canonical SMILES |
CC(C)OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(C)=NN(C2=O)c2ccc(Cl)c(c2)C(O)=O)o1
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| InChI |
InChI=1S/C26H21ClN2O6/c1-14(2)34-26(33)17-6-4-5-16(11-17)23-10-8-19(35-23)13-20-15(3)28-29(24(20)30)18-7-9-22(27)21(12-18)25(31)32/h4-14H,1-3H3,(H,31,32)/b20-13-
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| InChIKey |
VSVVLDZKNJVYES-MOSHPQCFSA-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