General Information of the Compound
| Compound ID |
CP0563967
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| Compound Name |
US9012651, 137
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| Structure |
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| Formula |
C15H16F3N3O
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| Molecular Weight |
311.307
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| Canonical SMILES |
C[C@H](CO)NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C15H16F3N3O/c1-10(9-22)20-8-13-6-7-19-14(21-13)11-2-4-12(5-3-11)15(16,17)18/h2-7,10,20,22H,8-9H2,1H3/t10-/m1/s1
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| InChIKey |
KMAKMLHFQJIKPX-SNVBAGLBSA-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