General Information of the Compound
| Compound ID |
CP0552627
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| Compound Name |
[4-[5-tert-butyl-3-(2,5-difluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
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| Formula |
C26H32F2N4O2
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| Molecular Weight |
470.564
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| Canonical SMILES |
COc1cc(F)c(cc1F)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)C(C)(C)C
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| InChI |
InChI=1S/C26H32F2N4O2/c1-26(2,3)24-16-22(19-14-21(28)23(34-5)15-20(19)27)32(29-24)18-8-6-17(7-9-18)25(33)31-12-10-30(4)11-13-31/h6-9,14-15,22H,10-13,16H2,1-5H3
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| InChIKey |
AFJJSGHHIMYMGC-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