General Information of the Compound
| Compound ID |
CP0882950
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| Compound Name |
1-(5-chloro-2-isobutoxybenzyl)-N-(4-((2-hydroxyethylamino)methyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C25H32Cl2N4O3
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| Molecular Weight |
507.462
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(CNCCO)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C25H31ClN4O3.ClH/c1-17(2)16-33-24-9-6-21(26)13-20(24)15-30-18(3)12-23(29-30)25(32)28-22-7-4-19(5-8-22)14-27-10-11-31;/h4-9,12-13,17,27,31H,10-11,14-16H2,1-3H3,(H,28,32);1H
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| InChIKey |
YKXFHTKMWYTWCK-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