General Information of the Compound
| Compound ID |
CP0474191
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| Compound Name |
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
CCn1c(nnc1C1Cc2ccccc2C1)C(O)CC(=O)Nc1cccc2ccccc12
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| InChI |
InChI=1S/C26H26N4O2/c1-2-30-25(20-14-18-9-3-4-10-19(18)15-20)28-29-26(30)23(31)16-24(32)27-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20,23,31H,2,14-16H2,1H3,(H,27,32)
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| InChIKey |
PAQMKTSQYBYEJZ-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