General Information of the Compound
| Compound ID |
CP0530697
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| Compound Name |
N-[(5-tert-butyl-2-pentylpyrazol-3-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C23H35FN4O3S
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| Molecular Weight |
466.623
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| Canonical SMILES |
CCCCCn1nc(cc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
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| InChI |
InChI=1S/C23H35FN4O3S/c1-7-8-9-12-28-18(14-21(26-28)23(3,4)5)15-25-22(29)16(2)17-10-11-20(19(24)13-17)27-32(6,30)31/h10-11,13-14,16,27H,7-9,12,15H2,1-6H3,(H,25,29)
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| InChIKey |
MEQWMRNDJVOANX-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