General Information of the Compound
| Compound ID |
CP0514935
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| Compound Name |
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]acetamide
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| Structure |
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| Formula |
C26H23F4N3O2
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| Molecular Weight |
485.481
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C26H23F4N3O2/c1-16(2)23(32-25(34)26(28,29)30)24(17-6-4-3-5-7-17)35-21-12-13-22-18(14-21)15-31-33(22)20-10-8-19(27)9-11-20/h3-16,23-24H,1-2H3,(H,32,34)/t23-,24+/m0/s1
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| InChIKey |
APYDYTKMUNMEOK-BJKOFHAPSA-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