General Information of the Compound
| Compound ID |
CP0773205
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| Compound Name |
N-(4-(3-acetamido-1-isopropyl-1H-pyrazol-5-yl)-2-(bicyclo[3.1.0]hexan-3-yloxy)phenyl)-2-chloro-6-fluoro-N-[2H]-methylbenzamide
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| Structure |
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| Formula |
C28H30ClFN4O3
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| Molecular Weight |
528.0423053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(C)=O)nn2C(C)C)cc1OC1CC2CC2C1
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| InChI |
InChI=1S/C28H30ClFN4O3/c1-15(2)34-24(14-26(32-34)31-16(3)35)17-8-9-23(25(13-17)37-20-11-18-10-19(18)12-20)33(4)28(36)27-21(29)6-5-7-22(27)30/h5-9,13-15,18-20H,10-12H2,1-4H3,(H,31,32,35)/i4D3
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| InChIKey |
AXCUJSHCDDRIJE-GKOSEXJESA-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