General Information of the Compound
| Compound ID |
CP0469454
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| Compound Name |
1-(2,4-dichlorophenyl)-5-[4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H26Cl2N4O2
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| Molecular Weight |
497.426
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(cc1)C#CCCO)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C26H26Cl2N4O2/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-33/h8-13,17,33H,2,4-6,14-16H2,1H3,(H,30,34)
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| InChIKey |
XQMUSOVCKGDJES-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