General Information of the Compound
| Compound ID |
CP0535703
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| Compound Name |
1-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]-4-phenylpiperidine
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| Structure |
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| Formula |
C25H29Cl2N3O
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| Molecular Weight |
458.433
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| Canonical SMILES |
Cc1cc(OCCCCN2CCC(CC2)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H29Cl2N3O/c1-19-17-25(28-30(19)22-9-10-23(26)24(27)18-22)31-16-6-5-13-29-14-11-21(12-15-29)20-7-3-2-4-8-20/h2-4,7-10,17-18,21H,5-6,11-16H2,1H3
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| InChIKey |
PKBREWIOYKTNBB-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