General Information of the Compound
| Compound ID |
CP0870432
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-N-(4-((dimethylamino)methyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H30Cl2N4O2
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| Molecular Weight |
525.48
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1.Cl
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| InChI |
InChI=1S/C28H29ClN4O2.ClH/c1-20-15-26(28(34)30-25-12-9-21(10-13-25)17-32(2)3)31-33(20)18-23-16-24(29)11-14-27(23)35-19-22-7-5-4-6-8-22;/h4-16H,17-19H2,1-3H3,(H,30,34);1H
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| InChIKey |
IFXCECACKOFMCQ-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