General Information of the Compound
| Compound ID |
CP0417128
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| Compound Name |
US10077266, Example 32
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| Structure |
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| Formula |
C23H27F4N5O2
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| Molecular Weight |
481.494
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| Canonical SMILES |
CC1N(CCc2nc(NCC(F)F)c(nc12)N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
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| InChI |
InChI=1S/C23H27F4N5O2/c1-13-21-18(7-10-32(13)14(2)33)29-22(28-12-20(26)27)23(30-21)31-8-5-16(6-9-31)34-19-4-3-15(24)11-17(19)25/h3-4,11,13,16,20H,5-10,12H2,1-2H3,(H,28,29)
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| InChIKey |
QJRXHWYPTZIIMW-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