General Information of the Compound
| Compound ID |
CP0563965
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| Compound Name |
US9012651, 132
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| Structure |
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| Formula |
C17H18F3N3O
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| Molecular Weight |
337.345
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| Canonical SMILES |
OCC1(CCC1)NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N3O/c18-17(19,20)13-4-2-12(3-5-13)15-21-9-6-14(23-15)10-22-16(11-24)7-1-8-16/h2-6,9,22,24H,1,7-8,10-11H2
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| InChIKey |
MVFQSPBYCOGHLY-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