General Information of the Compound
| Compound ID |
CP0526396
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| Compound Name |
US9012651, 148
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| Structure |
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| Formula |
C16H18F3N3O
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| Molecular Weight |
325.334
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| Canonical SMILES |
CC(O)C(C)NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N3O/c1-10(11(2)23)21-9-14-7-8-20-15(22-14)12-3-5-13(6-4-12)16(17,18)19/h3-8,10-11,21,23H,9H2,1-2H3
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| InChIKey |
YTRONYADNYGACR-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