General Information of the Compound
| Compound ID |
CP0546442
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| Compound Name |
N-butyl-4-[5-tert-butyl-3-(3-fluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzamide
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| Formula |
C25H32FN3O2
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| Molecular Weight |
425.548
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| Canonical SMILES |
CCCCNC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(OC)c(F)c1)C(C)(C)C
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| InChI |
InChI=1S/C25H32FN3O2/c1-6-7-14-27-24(30)17-8-11-19(12-9-17)29-21(16-23(28-29)25(2,3)4)18-10-13-22(31-5)20(26)15-18/h8-13,15,21H,6-7,14,16H2,1-5H3,(H,27,30)
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| InChIKey |
XLJGIZPCNODCSR-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