General Information of the Compound
| Compound ID |
CP0526098
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| Compound Name |
US9340500, I-121
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| Structure |
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| Formula |
C21H26F5N3O
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| Molecular Weight |
431.449
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| Canonical SMILES |
CNCC(F)(F)Cn1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H26F5N3O/c1-13-16(18(30)28-15-8-6-7-14(9-15)21(24,25)26)10-17(19(2,3)4)29(13)12-20(22,23)11-27-5/h6-10,27H,11-12H2,1-5H3,(H,28,30)
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| InChIKey |
QWPHUECWUVRTMZ-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