General Information of the Compound
| Compound ID |
CP0417138
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| Compound Name |
US10077266, Example 109
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| Structure |
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| Formula |
C22H27F4N5O
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| Molecular Weight |
453.484
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| Canonical SMILES |
CC1Cc2nc(NCC(F)F)c(nc2CN1C)N1CCC(CC1)Oc1ccc(F)cc1F
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| InChI |
InChI=1S/C22H27F4N5O/c1-13-9-17-18(12-30(13)2)29-22(21(28-17)27-11-20(25)26)31-7-5-15(6-8-31)32-19-4-3-14(23)10-16(19)24/h3-4,10,13,15,20H,5-9,11-12H2,1-2H3,(H,27,28)
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| InChIKey |
WEPYKHOJTKMFPG-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