General Information of the Compound
| Compound ID |
CP0436163
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| Compound Name |
US10077266, Example 101
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| Structure |
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| Formula |
C22H23F6N5O2
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| Molecular Weight |
503.447
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| Canonical SMILES |
FC(F)CNc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
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| InChI |
InChI=1S/C22H23F6N5O2/c23-12-1-2-17(14(24)9-12)35-13-3-6-32(7-4-13)21-20(29-10-18(25)26)30-16-11-33(22(34)19(27)28)8-5-15(16)31-21/h1-2,9,13,18-19H,3-8,10-11H2,(H,29,30)
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| InChIKey |
PEDBETLWIDHFSD-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