General Information of the Compound
| Compound ID |
CP0557645
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| Compound Name |
3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]propanoic acid
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| Structure |
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| Formula |
C16H18Cl2N2O3
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| Molecular Weight |
357.237
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| Canonical SMILES |
CC(C)Oc1cc(CCC(O)=O)n(Cc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C16H18Cl2N2O3/c1-10(2)23-15-8-13(5-6-16(21)22)20(19-15)9-11-3-4-12(17)7-14(11)18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,21,22)
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| InChIKey |
FBAMKBHEKHBEID-UHFFFAOYSA-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