General Information of the Compound
| Compound ID |
CP0462624
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| Compound Name |
US9012651, 141
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| Structure |
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| Formula |
C17H20F3N3O
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| Molecular Weight |
339.361
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| Canonical SMILES |
CCC[C@H](CO)NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H20F3N3O/c1-2-3-15(11-24)22-10-14-8-9-21-16(23-14)12-4-6-13(7-5-12)17(18,19)20/h4-9,15,22,24H,2-3,10-11H2,1H3/t15-/m1/s1
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| InChIKey |
GEGYOIPWIQOSSB-OAHLLOKOSA-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