General Information of the Compound
| Compound ID |
CP0450800
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| Compound Name |
US8969586, 26
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| Structure |
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| Formula |
C17H10F3N5O2
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| Molecular Weight |
373.294
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| Canonical SMILES |
FC(F)(F)COc1ncncc1-c1cccc2c(noc12)-c1cnccn1
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| InChI |
InChI=1S/C17H10F3N5O2/c18-17(19,20)8-26-16-12(6-22-9-24-16)10-2-1-3-11-14(25-27-15(10)11)13-7-21-4-5-23-13/h1-7,9H,8H2
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| InChIKey |
KECLLAMWOPXTIM-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