General Information of the Compound
Compound ID |
CP0476713
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Compound Name |
2-[2-[3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]propoxy]-3-methoxyphenyl]acetic acid
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Structure |
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Formula |
C25H28Cl2N2O5
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Molecular Weight |
507.414
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Canonical SMILES |
COc1cccc(CC(O)=O)c1OCCCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
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InChI |
InChI=1S/C25H28Cl2N2O5/c1-16(2)34-23-14-20(29(28-23)15-18-9-10-19(26)13-21(18)27)7-5-11-33-25-17(12-24(30)31)6-4-8-22(25)32-3/h4,6,8-10,13-14,16H,5,7,11-12,15H2,1-3H3,(H,30,31)
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InChIKey |
KEUHGGAIQSDJNM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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