General Information of the Compound
| Compound ID |
CP0484041
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| Compound Name |
US9012651, 178
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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 |
OC1(CNCc2ccnc(n2)-c2ccc(cc2)C(F)(F)F)CCCCC1
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| InChI |
InChI=1S/C19H22F3N3O/c20-19(21,22)15-6-4-14(5-7-15)17-24-11-8-16(25-17)12-23-13-18(26)9-2-1-3-10-18/h4-8,11,23,26H,1-3,9-10,12-13H2
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| InChIKey |
PROHWXDEEQGMGG-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