General Information of the Compound
| Compound ID |
CP0493129
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| Compound Name |
US9340500, I-017
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| Structure |
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| Formula |
C21H26F3N3O2
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| Molecular Weight |
409.452
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| Canonical SMILES |
Cc1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(C)n1CCCN1CCOCC1
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| InChI |
InChI=1S/C21H26F3N3O2/c1-15-13-19(16(2)27(15)8-4-7-26-9-11-29-12-10-26)20(28)25-18-6-3-5-17(14-18)21(22,23)24/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,25,28)
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| InChIKey |
XBMGXVCXUHQCQM-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