General Information of the Compound
| Compound ID |
CP0564359
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| Compound Name |
US9012651, 134
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| Structure |
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| Formula |
C19H22F3N3O
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| Molecular Weight |
365.399
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| Canonical SMILES |
OCC1(CCCCC1)NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H22F3N3O/c20-19(21,22)15-6-4-14(5-7-15)17-23-11-8-16(25-17)12-24-18(13-26)9-2-1-3-10-18/h4-8,11,24,26H,1-3,9-10,12-13H2
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| InChIKey |
GIVCIMBSNUSLEH-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