General Information of the Compound
| Compound ID |
CP0806353
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| Compound Name |
N-(2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(3-(2-hydroxyacetamido)-1-isopropyl-1H-pyrazol-5-yl)phenyl)-2-chloro-6-fluoro-N-[2H]-methylbenzamide
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| Structure |
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| Formula |
C27H29ClFN5O3
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| Molecular Weight |
529.0303053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(=O)CO)nn2C(C)C)cc1N1CC2CC2C1
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| InChI |
InChI=1S/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36)/i3D3
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| InChIKey |
NPJTWUVIGAJRIL-HPRDVNIFSA-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