General Information of the Compound
| Compound ID |
CP0849524
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| Compound Name |
N-(2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(3-isobutyramido-1-isopropyl-1H-pyrazol-5-yl)phenyl)-2-chloro-6-fluoro-N[2H]-methylbenzamide
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| Structure |
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| Formula |
C29H33ClFN5O2
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| Molecular Weight |
541.0853053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(=O)C(C)C)nn2C(C)C)cc1N1CC2CC2C1
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| InChI |
InChI=1S/C29H33ClFN5O2/c1-16(2)28(37)32-26-13-24(36(33-26)17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)29(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,37)/i5D3
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| InChIKey |
CNVZIRGUILLNPX-VPYROQPTSA-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma