General Information of the Compound
| Compound ID |
CP0846022
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-N-(4-((ethylamino)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 |
CCNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCc3ccccc3)n2)cc1.Cl
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| InChI |
InChI=1S/C28H29ClN4O2.ClH/c1-3-30-17-21-9-12-25(13-10-21)31-28(34)26-15-20(2)33(32-26)18-23-16-24(29)11-14-27(23)35-19-22-7-5-4-6-8-22;/h4-16,30H,3,17-19H2,1-2H3,(H,31,34);1H
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| InChIKey |
KTKWWIWXOFVLML-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