General Information of the Compound
| Compound ID |
CP0567532
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| Compound Name |
US11453683, Example 181
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| Structure |
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| Formula |
C23H20FN5O
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| Molecular Weight |
401.445
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| Canonical SMILES |
Oc1cc(-c2ncc3c(ncnc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
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| InChI |
InChI=1S/C23H20FN5O/c24-20-21(18-8-16(30)7-13-3-1-2-4-17(13)18)25-9-19-22(20)26-12-27-23(19)29-10-14-5-6-15(11-29)28-14/h1-4,7-9,12,14-15,28,30H,5-6,10-11H2
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| InChIKey |
BSIRLWLPTUFZHK-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