General Information of the Compound
| Compound ID |
CP0677744
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| Compound Name |
N-(4-(3-acetamido-1-(oxetan-3-yl)-1H-pyrazol-5-yl)-2-(3-azabicyclo[3.1.0]hexan-3-yl)phenyl)-2-chloro-6-fluoro-N[2H]-methylbenzamide
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| Structure |
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| Formula |
C27H27ClFN5O3
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| Molecular Weight |
527.0143053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(C)=O)nn2C2COC2)cc1N1CC2CC2C1
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| InChI |
InChI=1S/C27H27ClFN5O3/c1-15(35)30-25-10-23(34(31-25)19-13-37-14-19)16-6-7-22(24(9-16)33-11-17-8-18(17)12-33)32(2)27(36)26-20(28)4-3-5-21(26)29/h3-7,9-10,17-19H,8,11-14H2,1-2H3,(H,30,31,35)/i2D3
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| InChIKey |
GFKJGIBXWUGVHD-BMSJAHLVSA-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