General Information of the Compound
| Compound ID |
CP0569757
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| Compound Name |
US9012651, 161
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| Structure |
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| Formula |
C19H22F3N3O2
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| Molecular Weight |
381.398
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| Canonical SMILES |
OC(CNCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)C1CCOCC1
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| InChI |
InChI=1S/C19H22F3N3O2/c20-19(21,22)15-3-1-14(2-4-15)18-24-8-5-16(25-18)11-23-12-17(26)13-6-9-27-10-7-13/h1-5,8,13,17,23,26H,6-7,9-12H2
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| InChIKey |
HNHKGQUPTFIUQU-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