General Information of the Compound
| Compound ID |
CP0877298
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-3-((dimethylamino)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C25H32Cl2N4O2
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| Molecular Weight |
491.463
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| Canonical SMILES |
Cc1cc(NC(=O)c2cccc(CN(C)C)c2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C25H31ClN4O2.ClH/c1-17(2)16-32-23-10-9-22(26)13-21(23)15-30-18(3)11-24(28-30)27-25(31)20-8-6-7-19(12-20)14-29(4)5;/h6-13,17H,14-16H2,1-5H3,(H,27,28,31);1H
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| InChIKey |
UNBJPLOPHOTYAJ-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