General Information of the Compound
| Compound ID |
CP0484035
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| Compound Name |
US9012651, 116
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| Structure |
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| Formula |
C18H19F4N3O
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| Molecular Weight |
369.362
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| Canonical SMILES |
CC(C)[C@@H](NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C18H19F4N3O/c1-10(2)16(17(23)26)24-9-15-13(19)7-8-14(25-15)11-3-5-12(6-4-11)18(20,21)22/h3-8,10,16,24H,9H2,1-2H3,(H2,23,26)/t16-/m1/s1
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| InChIKey |
LHJHRTCFTVFGOF-MRXNPFEDSA-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