General Information of the Compound
| Compound ID |
CP0101014
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| Compound Name |
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
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| Structure |
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| Formula |
C26H23F4N3O
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| Molecular Weight |
469.482
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| Canonical SMILES |
CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/m0/s1
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| InChIKey |
MWACARKHGVSGED-QHCPKHFHSA-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: PT00967, Glucocorticoid receptor