General Information of the Compound
| Compound ID |
CP0546939
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| Compound Name |
US9012651, 182
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| Structure |
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| Formula |
C20H18F3N3O
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| Molecular Weight |
373.378
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| Canonical SMILES |
OC(CNCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C20H18F3N3O/c21-20(22,23)16-8-6-15(7-9-16)19-25-11-10-17(26-19)12-24-13-18(27)14-4-2-1-3-5-14/h1-11,18,24,27H,12-13H2
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| InChIKey |
QTZPWWSNQZPGEE-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