General Information of the Compound
| Compound ID |
CP0921781
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-N-(4-((methylamino)methyl)phenyl)-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C27H28Cl2N4O2
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| Molecular Weight |
511.453
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| Canonical SMILES |
CNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCc3ccccc3)n2)cc1.Cl
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| InChI |
InChI=1S/C27H27ClN4O2.ClH/c1-19-14-25(27(33)30-24-11-8-20(9-12-24)16-29-2)31-32(19)17-22-15-23(28)10-13-26(22)34-18-21-6-4-3-5-7-21;/h3-15,29H,16-18H2,1-2H3,(H,30,33);1H
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| InChIKey |
ZTRKNPKWZIDOQI-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