General Information of the Compound
| Compound ID |
CP0375785
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| Compound Name |
3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
CCn1c(CCC(C)C)nnc1CCC(=O)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C22H28N4O/c1-4-26-20(13-12-16(2)3)24-25-21(26)14-15-22(27)23-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,4,12-15H2,1-3H3,(H,23,27)
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| InChIKey |
SFLSFBBZAKRQJA-UHFFFAOYSA-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: PT05439, Nuclear receptor ROR-gamma
Protein ID: PT02663, Nuclear receptor ROR-gamma