General Information of the Compound
| Compound ID |
CP0880929
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| Compound Name |
1-(5-chloro-2-isobutoxybenzyl)-5-methyl-N-(4-((methylamino)methyl)phenyl)-1H-pyrazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C24H30Cl2N4O2
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| Molecular Weight |
477.436
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| Canonical SMILES |
CNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1.Cl
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| InChI |
InChI=1S/C24H29ClN4O2.ClH/c1-16(2)15-31-23-10-7-20(25)12-19(23)14-29-17(3)11-22(28-29)24(30)27-21-8-5-18(6-9-21)13-26-4;/h5-12,16,26H,13-15H2,1-4H3,(H,27,30);1H
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| InChIKey |
NWDCTHGBQQCMAC-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