General Information of the Compound
| Compound ID |
CP0430731
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(methylsulfonyl)propanamide
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| Structure |
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| Formula |
C26H27N3O4S
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| Molecular Weight |
477.586
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| Canonical SMILES |
CS(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H27N3O4S/c1-34(31,32)28-26(30)12-11-23-10-8-21(19-29-15-4-14-27-29)18-25(23)33-16-13-20-7-9-22-5-2-3-6-24(22)17-20/h2-10,14-15,17-18H,11-13,16,19H2,1H3,(H,28,30)
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| InChIKey |
MEDVXXBQDLZPRM-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