General Information of the Compound
| Compound ID |
CP0400277
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-chloro-4-methylphenylsulfonyl)propanamide
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| Structure |
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| Formula |
C32H30ClN3O4S
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| Molecular Weight |
588.129
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| Canonical SMILES |
Cc1ccc(cc1Cl)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H30ClN3O4S/c1-23-7-13-29(21-30(23)33)41(38,39)35-32(37)14-12-27-11-9-25(22-36-17-4-16-34-36)20-31(27)40-18-15-24-8-10-26-5-2-3-6-28(26)19-24/h2-11,13,16-17,19-21H,12,14-15,18,22H2,1H3,(H,35,37)
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| InChIKey |
NHYQFTFAZLIILG-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