General Information of the Compound
| Compound ID |
CP0563950
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| Compound Name |
US8962837, 11
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| Structure |
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| Formula |
C17H18F3N3O2
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| Molecular Weight |
353.344
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| Canonical SMILES |
Cn1ccnc(N2CCC(CC2)Oc2ccccc2C(F)(F)F)c1=O
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| InChI |
InChI=1S/C17H18F3N3O2/c1-22-11-8-21-15(16(22)24)23-9-6-12(7-10-23)25-14-5-3-2-4-13(14)17(18,19)20/h2-5,8,11-12H,6-7,9-10H2,1H3
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| InChIKey |
GKXXTSAQLLFRMV-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