General Information of the Compound
| Compound ID |
CP0435930
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| Compound Name |
3-tert-butyl-N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-1-methyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C28H37N5O4S
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| Molecular Weight |
539.702
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2cc(nn2C)C(C)(C)C)c2ccccc12
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| InChI |
InChI=1S/C28H37N5O4S/c1-6-9-26(34)33-16-14-19(15-17-33)31-38(36,37)24-13-12-22(20-10-7-8-11-21(20)24)29-27(35)23-18-25(28(2,3)4)30-32(23)5/h7-8,10-13,18-19,31H,6,9,14-17H2,1-5H3,(H,29,35)
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| InChIKey |
PIKFRYPVXAWEDT-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