General Information of the Compound
| Compound ID |
CP0480892
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| Compound Name |
N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-[5-(1,3-dihydroxypropan-2-ylcarbamoylamino)-2-propan-2-ylpyrazol-3-yl]phenyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
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| Structure |
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| Formula |
C29H34ClFN6O4
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| Molecular Weight |
588.0983053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NC(CO)CO)nn1C(C)C
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| InChI |
InChI=1S/C29H34ClFN6O4/c1-16(2)37-24(11-26(34-37)33-29(41)32-20(14-38)15-39)17-7-8-23(25(10-17)36-12-18-9-19(18)13-36)35(3)28(40)27-21(30)5-4-6-22(27)31/h4-8,10-11,16,18-20,38-39H,9,12-15H2,1-3H3,(H2,32,33,34,41)/i3D3
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| InChIKey |
CHTIFDHNJHNTOZ-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